Basic information
- Standard SMILES
O=C1CCC(NCc2ccc(Cl)cc2)CC1- InChIKey
VASZILLAAVFOHH-UHFFFAOYSA-N- Molecular formula
- C13H16ClNO
- Average molar mass
- 237.72 g/mol
- Monoisotopic mass
- 237.0920418
Names & identifiers
- Preferred name
- 4-[N-(4-Chloro-benzyl)-amino]-cyclohexanone
- IUPAC
- 4-[(4-chlorophenyl)methylamino]cyclohexan-1-one
Names & synonyms
SCHEMBL7323659VASZILLAAVFOHH-UHFFFAOYSA-N4-[N-(4-Chloro-benzyl)-amino]-cyclohexanone
Database identifiers
- PubChem CID
- 13670664
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 226
Related reactions
8 records
Compound notes
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