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Basic information
- Standard SMILES
COc1ccc(C[C@@H](C)N(Cc2ccc(OC)c(OC)c2)CC(O)c2cccc(Cl)c2)cc1OC- InChIKey
XTHXDOVBAKWJGI-PHSANKKPSA-N- Molecular formula
- C28H34ClNO5
- Average molar mass
- 500 g/mol
- Monoisotopic mass
- 499.2125509
Names & identifiers
- Preferred name
- (R)-N-(3,4-dimethoxybenzyl)-N-[2-(3-chlorophenyl)-2-hydroxyeth-1-yl]-1-(3,4-dimethoxyphenyl)-prop-2-ylamine
- IUPAC
- 1-(3-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]amino]ethanol
Names & synonyms
SCHEMBL9122646XTHXDOVBAKWJGI-PHSANKKPSA-N(R)-N-(3,4-dimethoxybenzyl)-N-[2-(3-chlorophenyl)-2-hydroxyeth-1-yl]-1-(3,4-dimethoxyphenyl)-prop-2-ylamine
Database identifiers
- PubChem CID
- 67780529
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 598
Related reactions
2 records
Compound notes
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