3-[2-(3,4-Dimethoxyphenyl)ethylamino]cyclohex-2-en-1-one
Basic information
- CAS
27032-09-3- Standard SMILES
COc1ccc(CCNC2=CC(=O)CCC2)cc1OC- InChIKey
ZRGUEBOECAIQTL-UHFFFAOYSA-N- Molecular formula
- C16H21NO3
- Average molar mass
- 275.34 g/mol
- Monoisotopic mass
- 275.15214353
Names & identifiers
- Preferred name
- 3-[2-(3,4-Dimethoxyphenyl)ethylamino]cyclohex-2-en-1-one
- IUPAC
- 3-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohex-2-en-1-one
Names & synonyms
MLS00317111827032-09-3NSC352105CHEMBL2130761DTXSID20319949NSC-352105SMR0018750263-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}cyclohex-2-en-1-one
Database identifiers
- CAS
27032-09-3- PubChem CID
- 336798
- DTXSID
DTXSID20319949- ChEMBL
CHEMBL2130761
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…