Basic information
- Standard SMILES
COc1ccc(CC(C)(C)NC[C@H](O)COc2ccccc2)cc1.Cl- InChIKey
YANXRNUUTOWOCB-LMOVPXPDSA-N- Molecular formula
- C20H28ClNO3
- Average molar mass
- 365.9 g/mol
Names & identifiers
- Preferred name
- (S)-N-(2-Hydroxy-3-phenoxypropyl)-1,1-dimethyl-2-(4-methoxyphenyl)ethylamine Hydrochloride
- IUPAC
- (2S)-1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol;hydrochloride
Names & synonyms
SCHEMBL5513261YANXRNUUTOWOCB-LMOVPXPDSA-N(S)-N-(2-Hydroxy-3-phenoxypropyl)-1,1-dimethyl-2-(4-methoxyphenyl)ethylamine Hydrochloride
Database identifiers
- PubChem CID
- 69471124
Properties
Computed structural properties
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 334
Related reactions
2 records
Compound notes
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