Basic information
- Standard SMILES
CCCCOc1ccc(CN(CC(O)c2cccc(Cl)c2)[C@H](C)Cc2ccc(OC)c(OC)c2)cc1OC- InChIKey
OTBVGJYTIPIUJW-XVPAFAEQSA-N- Molecular formula
- C31H40ClNO5
- Average molar mass
- 542.1 g/mol
Names & identifiers
- Preferred name
- (R)-N-(3-methoxy-4-n-butoxybenzyl)-N-[2-(3-chlorophenyl)-2-hydroxyeth-1-yl]-1-(3,4-dimethoxyphenyl)-prop-2-ylamine
- IUPAC
- 2-[(4-butoxy-3-methoxyphenyl)methyl-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]amino]-1-(3-chlorophenyl)ethanol
Names & synonyms
SCHEMBL9126562OTBVGJYTIPIUJW-XVPAFAEQSA-N(R)-N-(3-methoxy-4-n-butoxybenzyl)-N-[2-(3-chlorophenyl)-2-hydroxyeth-1-yl]-1-(3,4-dimethoxyphenyl)-prop-2-ylamine
Database identifiers
- PubChem CID
- 67781069
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 641
Related reactions
1 records
Compound notes
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