Octriptyline
Basic information
- CAS
47166-67-6- Standard SMILES
CNCCC=C1c2ccccc2C2CC2c2ccccc21- InChIKey
MILRTYCRJIRPKY-UHFFFAOYSA-N- Molecular formula
- C20H21N
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.16739967
Names & identifiers
- Preferred name
- Octriptyline
- IUPAC
- N-methyl-3-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene)propan-1-amine
Names & synonyms
OCTRIPTYLINE47166-67-6N-methyl-3-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene)propan-1-amineOctriptilinaSCHEMBL143138CHEMBL2110951SCHEMBL30724666DTXSID10963758Q70771173-(1a,10b-dihydrodibenzo[a,e]cyclopropa[c][7]annulen-6(1H)-ylidene)-N-methylpropan-1-amine
Database identifiers
- CAS
47166-67-6- PubChem CID
- 40029
- DTXSID
DTXSID10963758- ChEMBL
CHEMBL2110951- Nikkaji
- J16.434H
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 369
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Related reactions
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Compound notes
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