Basic information
- CAS
63365-57-1- Standard SMILES
COc1ccc(CCNCC(=O)c2ccc(OCc3ccccc3)cc2)cc1OC.Cl- InChIKey
BKMXDUHSLYAVIR-UHFFFAOYSA-N- Molecular formula
- C25H28ClNO4
- Average molar mass
- 441.9 g/mol
- Monoisotopic mass
- 441.1706861
Names & identifiers
- Preferred name
- 2-[2-(3,4-Dimethoxyphenyl)ethylamino]-1-(4-phenylmethoxyphenyl)ethanone;hydrochloride
- IUPAC
- 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-phenylmethoxyphenyl)ethanone;hydrochloride
Names & synonyms
SCHEMBL7348727
Database identifiers
- CAS
63365-57-1- PubChem CID
- 20544366
Properties
Computed structural properties
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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