(1-Chloro-3,3-dimethylcyclohexyl)[4-(dimethylamino)phenyl]methanone
Basic information
- CAS
4664-68-0- Standard SMILES
CN(C)c1ccc(C(=O)C2(Cl)CCCC(C)(C)C2)cc1- InChIKey
SUNRTGCOWUSMOJ-UHFFFAOYSA-N- Molecular formula
- C17H24ClNO
- Average molar mass
- 293.8 g/mol
- Monoisotopic mass
- 293.1546421
Names & identifiers
- Preferred name
- (1-Chloro-3,3-dimethylcyclohexyl)[4-(dimethylamino)phenyl]methanone
- IUPAC
- (1-chloro-3,3-dimethylcyclohexyl)-[4-(dimethylamino)phenyl]methanone
Names & synonyms
4664-68-0NSC280665DTXSID00314098(1-Chloro-3,3-dimethylcyclohexyl)[4-(dimethylamino)phenyl]methanoneNSC-280665DS-007691(1-chloro-3,3-dimethyl-cyclohexyl)-(4-dimethylaminophenyl)methanone
Database identifiers
- CAS
4664-68-0- PubChem CID
- 322595
- DTXSID
DTXSID00314098
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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