Molecular Identity
Bupropion
2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one
PubChem CID: 444
Bupropion is an aromatic ketone that is propiophenone carrying a tert-butylamino group at position 2 and a chloro substituent at position 3 on the phenyl ring. It has a role as an antidepressant, a xenobiotic and an environmental contaminant. It is a secondary amino compound, an aromatic ketone and a member of monochlorobenzenes.
2D Structure
Properties
C13H18ClNO
Molecular Formula
239.74
Molecular Weight
g/mol
239.1077
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
29.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
247
Complexity
SMILES
Canonical SMILES
SMILES: CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)CIsomeric SMILES
SMILES: CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)CSynonyms(20)
bupropionAmfebutamone34911-55-22-(tert-butylamino)-1-(3-chlorophenyl)propan-1-oneAmfebutamonamfebutamonumAmfebutamona(+-)-BupropionElontrilBupropion slow releasebupropioneBupropion extended releasealpha-(tert-butylamino)-m-chloropropiophenone01ZG3TPX31NSC-758686
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Bupropion
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