1-(6-Chloro-3',4'-dimethoxy[1,1'-biphenyl]-3-yl)methanamine
Basic information
- CAS
1181441-51-9- Standard SMILES
COc1ccc(-c2cc(CN)ccc2Cl)cc1OC- InChIKey
HZCBCQHYOBJJFR-UHFFFAOYSA-N- Molecular formula
- C15H16ClNO2
- Average molar mass
- 277.74 g/mol
- Monoisotopic mass
- 277.0869564
Names & identifiers
- Preferred name
- 1-(6-Chloro-3',4'-dimethoxy[1,1'-biphenyl]-3-yl)methanamine
- IUPAC
- [4-chloro-3-(3,4-dimethoxyphenyl)phenyl]methanamine
Names & synonyms
DTXSID4012164181181441-51-91-(6-Chloro-3',4'-dimethoxy[1,1'-biphenyl]-3-yl)methanamine6-Chloro-3a(2),4a(2)-dimethoxy[1,1a(2)-biphenyl]-3-methanamine
Database identifiers
- CAS
1181441-51-9- PubChem CID
- 39233124
- DTXSID
DTXSID401216418
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 277
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Compound notes
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