Tapentadol
3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol
Molecular Identity
Tapentadol
3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol
PubChem CID: 9838022
Tapentadol is an alkylbenzene.
2D Structure
Properties
C14H23NO
Molecular Formula
221.34
Molecular Weight
g/mol
221.1780
Exact Mass
Da
3.5
XLogP
Drug-like (Lipinski: < 5)
23.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
193
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C1=CC(=CC=C1)O)C(C)CN(C)CIsomeric SMILES
SMILES: CC[C@@H](C1=CC(=CC=C1)O)[C@@H](C)CN(C)CSynonyms(20)
Tapentadol175591-23-8CG5503BN 200 (BASE)CG5503 (BASE)BN 200BN-200CG-5503CG5503 IR3-((1R,2R)-3-(Dimethylamino)-1-ethyl-2-methylpropyl)phenolH8A007M585NSC-759619CG 5503DTXSID30170003phenol, 3-[(1r,2r)-3-(dimethylamino)-1-ethyl-2-methylpropyl]-
Data from PubChem (NCBI)
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Drug Network
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