Molecular Identity
doxepin
3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
PubChem CID: 3158
2D Structure
Properties
C19H21NO
Molecular Formula
279.40
Molecular Weight
g/mol
279.1623
Exact Mass
Da
4.3
XLogP
Drug-like (Lipinski: < 5)
12.5
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
363
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
doxepin1668-19-5DoxepinaDoxepineSinepinDoxepinumCHEBI:4710DTXSID70229661-Propanamine, 3-dibenz[b,e]oxepin-11(6H)-ylidene-N,N-dimethyl-1-Propanamine, 3-dibenz(b,e)oxepin-11(6H)-ylidene-N,N-dimethyl-5ASJ6HUZ7DSinquanApoDoxepin11-(3-Dimethylamino-propyliden)-6,11-dihydro-dibenz(b,e)oxipinN,N-Dimethyldibenz(b,e)oxepin-delta(11(6H),gamma)-propylamine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to doxepin
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