{"Abbreviation":"","Aliases":["Deschloro bupropion","2-(N-tert-Butylamino)propiophenone","2-(tert-Butylamino)propiophenone","2-((1,1-Dimethylethyl)amino)-1-phenyl-1-propanone","1-Propanone, 2-((1,1-dimethylethyl)amino)-1-phenyl-"],"CAS":"34509-36-9","ChEMBL":"CHEMBL569699","ChemicalClasses":["cathinone"],"Chirality":"racemic","Erowid Experience Reports":null,"Esters":[],"Formating":[],"HeavyAtomCount":15,"IUPACName":"2-(tert-butylamino)-1-phenylpropan-1-one","InChI":"InChI=1S/C13H19NO/c1-10(14-13(2,3)4)12(15)11-8-6-5-7-9-11/h5-10,14H,1-4H3","InChIKey":"JQNSRSIGKZYQAA-UHFFFAOYSA-N","MolecularFormula":"C\u003csub\u003e13\u003c/sub\u003eH\u003csub\u003e19\u003c/sub\u003eNO","MolecularWeight":"205.30 g/mol","PD":"PD089648","PubChemId":3047299,"RefCount":2,"RefCur":"","References":[{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/3047299","Name":"3-Deschlorobupropion","Sub":false}]},{"Name":"ChEMBL","Urls":[{"Link":"https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL569699","Name":"3-Deschlorobupropion","Sub":false}]},{"Name":"Probes \u0026 Drugs","Urls":[{"Link":"https://www.probes-drugs.org/compound/PD089648","Name":"3-Deschlorobupropion","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=34509-36-9","Name":"3-Deschlorobupropion","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/5RQB4CW0AJ","Name":"3-Deschlorobupropion","Sub":false}]}],"Refs":["National Center for Biotechnology Information. PubChem Compound Summary for CID 3047299, 3-Deschlorobupropion. Accessed July 25, 2025. \u003ca href=https://pubchem.ncbi.nlm.nih.gov/compound/3047299\u003ehttps://pubchem.ncbi.nlm.nih.gov/compound/3047299\u003c/a\u003e"],"SMILES":"CC(C(=O)C1=CC=CC=C1)NC(C)(C)C","SaltData":[],"Salts":[],"StereoisomerData":[{"Aliases":null,"PubChemId":null,"SMILES":"C[C@@H](NC(C)(C)C)C(=O)c1ccccc1","Structure":"\u003csvg xmlns=\"http://www.w3.org/2000/svg\" preserveAspectRatio=\"none\" style=\"display:block\" viewBox=\"0 0 94.469 49.848\"\u003e\u003crect width=\"100%\" height=\"100%\" fill=\"#fff\"/\u003e\u003cdesc\u003eGenerated by the Chemistry Development Kit (http://github.com/cdk)\u003c/desc\u003e\u003cg fill=\"#3050f8\" stroke=\"#000\" stroke-linecap=\"round\" stroke-linejoin=\"round\" stroke-width=\".7\"\u003e\u003cpath fill=\"#fff\" stroke=\"none\" d=\"M0 0h95v50H0z\"/\u003e\u003cg class=\"mol\"\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"M54.186 25.941h-.7M54.436 28.118h-1.2M54.686 30.295h-1.7M54.936 32.473h-2.2M55.186 34.65h-2.7M55.436 36.827h-3.2M55.686 39.004h-3.7M55.936 41.181h-4.2\"/\u003e\u003c/g\u003e\u003cpath d=\"m53.836 25.941 10.045-5.799M70.187 20.142l10.045 5.799M80.232 25.941l7.62-13.198M80.232 25.941l13.199 7.62M80.232 25.941l-7.62 13.198M53.836 25.941l-13.198-7.62\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"M39.419 19.025V7.002M41.857 19.025V7.002\"/\u003e\u003cpath stroke=\"#ff0d0d\" d=\"M39.419 7.002v6.011M41.857 7.002v6.011\" class=\"hi\"/\u003e\u003c/g\u003e\u003cpath d=\"m40.638 18.321-13.198 7.62\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m27.44 25.941-13.204-7.628M25.002 27.349l-10.766-6.22\"/\u003e\u003c/g\u003e\u003cpath d=\"m14.236 18.313-13.198 7.62\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m1.038 25.933.005 15.248M3.477 27.34l.004 12.434\"/\u003e\u003c/g\u003e\u003cpath d=\"m1.043 41.181 13.203 7.629\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m14.246 48.81 13.198-7.62M14.247 45.994l10.759-6.212\"/\u003e\u003c/g\u003e\u003cpath d=\"m27.44 25.941.004 15.249\" class=\"bond\"/\u003e\u003cg stroke=\"none\" class=\"atom\"\u003e\u003cpath d=\"M68.975 20.771h-.72l-2.62-4.066h-.03l.03.595q.024.357.024.732v2.739h-.566v-4.9h.715l2.607 4.055h.03l-.018-.328-.024-.476q-.006-.262-.006-.482v-2.769h.578zM68.838 15.31h-.619v-2.286h-2.512v2.286h-.614v-4.9h.614v2.072h2.512V10.41h.619z\"/\u003e\u003c/g\u003e\u003cpath fill=\"#ff0d0d\" stroke=\"none\" d=\"M42.897 3.078q0 .756-.256 1.328-.256.565-.756.881-.5.315-1.244.315-.756 0-1.262-.315-.506-.316-.756-.887-.244-.572-.244-1.334 0-.75.244-1.309.25-.566.756-.881T40.653.56q.732 0 1.232.316.5.309.756.875.256.565.256 1.327m-3.864 0q0 .923.387 1.459.393.53 1.221.53.839 0 1.22-.53.387-.536.387-1.459 0-.929-.387-1.452-.381-.524-1.208-.524-.834 0-1.227.524-.393.523-.393 1.452\" class=\"atom\"/\u003e\u003cpath stroke=\"#3050f8\" d=\"m63.881 20.142-5.023 2.899M63.881 20.142l-5.023 2.899M70.187 20.142l5.022 2.899M70.187 20.142l5.022 2.899\" class=\"hi\"/\u003e\u003c/g\u003e\u003c/g\u003e\u003c/svg\u003e","Title":"(R)-3-Deschlorobupropion","UNII":null},{"Aliases":null,"PubChemId":null,"SMILES":"C[C@H](NC(C)(C)C)C(=O)c1ccccc1","Structure":"\u003csvg xmlns=\"http://www.w3.org/2000/svg\" preserveAspectRatio=\"none\" style=\"display:block\" viewBox=\"0 0 94.469 49.848\"\u003e\u003crect width=\"100%\" height=\"100%\" fill=\"#fff\"/\u003e\u003cdesc\u003eGenerated by the Chemistry Development Kit (http://github.com/cdk)\u003c/desc\u003e\u003cg fill=\"#3050f8\" stroke=\"#000\" stroke-linecap=\"round\" stroke-linejoin=\"round\" stroke-width=\".7\"\u003e\u003cpath fill=\"#fff\" stroke=\"none\" d=\"M0 0h95v50H0z\"/\u003e\u003cg class=\"mol\"\u003e\u003cpath fill=\"#000\" stroke=\"none\" d=\"M54.186 25.941h-.7l-1.75 15.24h4.2z\" class=\"bond\"/\u003e\u003cpath d=\"m53.836 25.941 10.045-5.799M70.187 20.142l10.045 5.799M80.232 25.941l7.62-13.198M80.232 25.941l13.199 7.62M80.232 25.941l-7.62 13.198M53.836 25.941l-13.198-7.62\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"M39.419 19.025V7.002M41.857 19.025V7.002\"/\u003e\u003cpath stroke=\"#ff0d0d\" d=\"M39.419 7.002v6.011M41.857 7.002v6.011\" class=\"hi\"/\u003e\u003c/g\u003e\u003cpath d=\"m40.638 18.321-13.198 7.62\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m27.44 25.941-13.204-7.628M25.002 27.349l-10.766-6.22\"/\u003e\u003c/g\u003e\u003cpath d=\"m14.236 18.313-13.198 7.62\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m1.038 25.933.005 15.248M3.477 27.34l.004 12.434\"/\u003e\u003c/g\u003e\u003cpath d=\"m1.043 41.181 13.203 7.629\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m14.246 48.81 13.198-7.62M14.247 45.994l10.759-6.212\"/\u003e\u003c/g\u003e\u003cpath d=\"m27.44 25.941.004 15.249\" class=\"bond\"/\u003e\u003cg stroke=\"none\" class=\"atom\"\u003e\u003cpath d=\"M68.975 20.771h-.72l-2.62-4.066h-.03l.03.595q.024.357.024.732v2.739h-.566v-4.9h.715l2.607 4.055h.03l-.018-.328-.024-.476q-.006-.262-.006-.482v-2.769h.578zM68.838 15.31h-.619v-2.286h-2.512v2.286h-.614v-4.9h.614v2.072h2.512V10.41h.619z\"/\u003e\u003c/g\u003e\u003cpath fill=\"#ff0d0d\" stroke=\"none\" d=\"M42.897 3.078q0 .756-.256 1.328-.256.565-.756.881-.5.315-1.244.315-.756 0-1.262-.315-.506-.316-.756-.887-.244-.572-.244-1.334 0-.75.244-1.309.25-.566.756-.881T40.653.56q.732 0 1.232.316.5.309.756.875.256.565.256 1.327m-3.864 0q0 .923.387 1.459.393.53 1.221.53.839 0 1.22-.53.387-.536.387-1.459 0-.929-.387-1.452-.381-.524-1.208-.524-.834 0-1.227.524-.393.523-.393 1.452\" class=\"atom\"/\u003e\u003cpath stroke=\"#3050f8\" d=\"m63.881 20.142-5.023 2.899M63.881 20.142l-5.023 2.899M70.187 20.142l5.022 2.899M70.187 20.142l5.022 2.899\" class=\"hi\"/\u003e\u003c/g\u003e\u003c/g\u003e\u003c/svg\u003e","Title":"(S)-3-Deschlorobupropion","UNII":null}],"StereoisomerType":"enantiomer","Stereoisomers":["(R)-3-Deschlorobupropion","(S)-3-Deschlorobupropion"],"Structure":"\u003csvg xmlns=\"http://www.w3.org/2000/svg\" preserveAspectRatio=\"none\" style=\"display:block\" viewBox=\"0 0 94.469 49.848\"\u003e\u003crect width=\"100%\" height=\"100%\" fill=\"#fff\"/\u003e\u003cdesc\u003eGenerated by the Chemistry Development Kit (http://github.com/cdk)\u003c/desc\u003e\u003cg fill=\"#3050f8\" stroke=\"#000\" stroke-linecap=\"round\" stroke-linejoin=\"round\" stroke-width=\".7\"\u003e\u003cpath fill=\"#fff\" stroke=\"none\" d=\"M0 0h95v50H0z\"/\u003e\u003cg class=\"mol\"\u003e\u003cpath d=\"M53.836 41.181v-15.24M53.836 25.941l-13.198-7.62\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"M39.419 19.025V7.002M41.857 19.025V7.002\"/\u003e\u003cpath stroke=\"#ff0d0d\" d=\"M39.419 7.002v6.011M41.857 7.002v6.011\" class=\"hi\"/\u003e\u003c/g\u003e\u003cpath d=\"m40.638 18.321-13.198 7.62\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m27.44 25.941-13.204-7.628M25.002 27.349l-10.766-6.22\"/\u003e\u003c/g\u003e\u003cpath d=\"m14.236 18.313-13.198 7.62\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m1.038 25.933.005 15.248M3.477 27.34l.004 12.434\"/\u003e\u003c/g\u003e\u003cpath d=\"m1.043 41.181 13.203 7.629\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m14.246 48.81 13.198-7.62M14.247 45.994l10.759-6.212\"/\u003e\u003c/g\u003e\u003cpath d=\"m27.44 25.941.004 15.249M53.836 25.941l10.045-5.799M70.187 20.142l10.045 5.799M80.232 25.941l7.62-13.198M80.232 25.941l13.199 7.62M80.232 25.941l-7.62 13.198\" class=\"bond\"/\u003e\u003cpath fill=\"#ff0d0d\" stroke=\"none\" d=\"M42.897 3.078q0 .756-.256 1.328-.256.565-.756.881-.5.315-1.244.315-.756 0-1.262-.315-.506-.316-.756-.887-.244-.572-.244-1.334 0-.75.244-1.309.25-.566.756-.881T40.653.56q.732 0 1.232.316.5.309.756.875.256.565.256 1.327m-3.864 0q0 .923.387 1.459.393.53 1.221.53.839 0 1.22-.53.387-.536.387-1.459 0-.929-.387-1.452-.381-.524-1.208-.524-.834 0-1.227.524-.393.523-.393 1.452\" class=\"atom\"/\u003e\u003cg stroke=\"none\" class=\"atom\"\u003e\u003cpath d=\"M68.975 20.771h-.72l-2.62-4.066h-.03l.03.595q.024.357.024.732v2.739h-.566v-4.9h.715l2.607 4.055h.03l-.018-.328-.024-.476q-.006-.262-.006-.482v-2.769h.578zM68.838 15.31h-.619v-2.286h-2.512v2.286h-.614v-4.9h.614v2.072h2.512V10.41h.619z\"/\u003e\u003c/g\u003e\u003cpath stroke=\"#3050f8\" d=\"m63.881 20.142-5.023 2.899M63.881 20.142l-5.023 2.899M70.187 20.142l5.022 2.899M70.187 20.142l5.022 2.899\" class=\"hi\"/\u003e\u003c/g\u003e\u003c/g\u003e\u003c/svg\u003e","Title":"3-Deschlorobupropion","UNII":"5RQB4CW0AJ","XLogP":2.6}