Basic information
- CAS
840475-10-7- Standard SMILES
COc1ccc(NC[C@@H]2CCCCC2=O)cc1- InChIKey
WKEXWJYFKAENDF-NSHDSACASA-N- Molecular formula
- C14H19NO2
- Average molar mass
- 233.31 g/mol
- Monoisotopic mass
- 233.14157885
Names & identifiers
- Preferred name
- (2S)-2-[(4-Methoxyanilino)methyl]cyclohexan-1-one
- IUPAC
- (2S)-2-[(4-methoxyanilino)methyl]cyclohexan-1-one
Names & synonyms
840475-10-7(2S)-2-[(4-Methoxyanilino)methyl]cyclohexan-1-oneDTXSID50834190
Database identifiers
- CAS
840475-10-7- PubChem CID
- 71414751
- DTXSID
DTXSID50834190- Nikkaji
- J2.132.642I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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