Basic information
- Standard SMILES
CCN1CCCCCC1Cc1ccc(Cl)cc1- InChIKey
GNCMRSZCDKOHKP-UHFFFAOYSA-N- Molecular formula
- C15H22ClN
- Average molar mass
- 251.79 g/mol
Names & identifiers
- Preferred name
- 1-Ethyl-2-(4-chlorobenzyl)perhydroazepine
- IUPAC
- 2-[(4-chlorophenyl)methyl]-1-ethylazepane
Names & synonyms
SCHEMBL11491553GNCMRSZCDKOHKP-UHFFFAOYSA-N1-ethyl-2-(4-chlorobenzyl)perhydroazepine
Database identifiers
- PubChem CID
- 23342803
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 211
Related reactions
2 records
Compound notes
Loading…