5a(2)-Chloro-2a(2),6-dimethoxy[1,1a(2)-biphenyl]-3-ethanamine
Basic information
- CAS
1181344-88-6- Standard SMILES
COc1ccc(Cl)cc1-c1cc(CCN)ccc1OC- InChIKey
CMSQLBVWUTWATQ-UHFFFAOYSA-N- Molecular formula
- C16H18ClNO2
- Average molar mass
- 291.77 g/mol
- Monoisotopic mass
- 291.1026065
Names & identifiers
- Preferred name
- 5a(2)-Chloro-2a(2),6-dimethoxy[1,1a(2)-biphenyl]-3-ethanamine
- IUPAC
- 2-[3-(5-chloro-2-methoxyphenyl)-4-methoxyphenyl]ethanamine
Names & synonyms
DTXSID9012212022-(5'-Chloro-2',6-dimethoxy[1,1'-biphenyl]-3-yl)ethan-1-amine5a(2)-Chloro-2a(2),6-dimethoxy[1,1a(2)-biphenyl]-3-ethanamine1181344-88-6
Database identifiers
- CAS
1181344-88-6- PubChem CID
- 82039528
- DTXSID
DTXSID901221202
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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