Basic information
- Standard SMILES
COc1ccc(CC(C)(C)NC[C@@H](O)COc2cccc(Cl)c2C#N)cc1.Cl- InChIKey
GLQXXWMZWCWINE-PKLMIRHRSA-N- Molecular formula
- C21H26Cl2N2O3
- Average molar mass
- 425.3 g/mol
- Monoisotopic mass
- 424.1320481
Names & identifiers
- Preferred name
- (r)-n-[2-Hydroxy-3-(3-chloro-2-cyanophenoxy)propyl]-1,1-dimethyl-2-(4-methoxyphenyl)-ethylamine hydrochloride
- IUPAC
- 2-chloro-6-[(2R)-2-hydroxy-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile;hydrochloride
Names & synonyms
SCHEMBL5515196GLQXXWMZWCWINE-PKLMIRHRSA-N(r)-n-[2-hydroxy-3-(3-chloro-2-cyanophenoxy)propyl]-1,1-dimethyl-2-(4-methoxyphenyl)-ethylamine hydrochloride
Database identifiers
- PubChem CID
- 9867079
Properties
Computed structural properties
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 485
Related reactions
3 records
Compound notes
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