4-[(1R,2R)-1-hydroxy-2-(methylamino)propyl]phenol
Basic information
- CAS
67381-70-8- Standard SMILES
CN[C@H](C)[C@H](O)c1ccc(O)cc1- InChIKey
OXFGTKPPFSCSMA-XCBNKYQSSA-N- Molecular formula
- C10H15NO2
- Average molar mass
- 181.23 g/mol
- Monoisotopic mass
- 181.11027872
Names & identifiers
- Preferred name
- 4-[(1R,2R)-1-hydroxy-2-(methylamino)propyl]phenol
- IUPAC
- 4-[(1R,2R)-1-hydroxy-2-(methylamino)propyl]phenol
Names & synonyms
4-[(1R,2R)-1-hydroxy-2-(methylamino)propyl]phenolSCHEMBL5173040DTXSID904827367381-70-8Benzenemethanol, 4-hydroxy-alpha-[(1R)-1-(methylamino)ethyl]-,(alphaR)-rel-
Database identifiers
- CAS
67381-70-8- PubChem CID
- 688010
- DTXSID
DTXSID9048273- Nikkaji
- J276.312E
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 144
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Compound notes
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