Basic information
- Standard SMILES
CN(C)CCC=C1c2ccccc2CCc2c(Cl)cccc21- InChIKey
CMGZPJIHOZMOKL-UHFFFAOYSA-N- Molecular formula
- C20H22ClN
- Average molar mass
- 311.8 g/mol
Names & identifiers
- Preferred name
- 1-Chloro-amitriptyline
- IUPAC
- 3-(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)-N,N-dimethylpropan-1-amine
Names & synonyms
1-Chloro-amitriptylineCHEMBL1615346CMGZPJIHOZMOKL-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 103696
- ChEMBL
CHEMBL1615346
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 389
Experimental & physicochemical properties
LogP5.55
Related reactions
1 records
Compound notes
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