Basic information
- CAS
68398-02-7- Standard SMILES
COc1cccc(CNC(C)C(O)c2ccccc2)c1O- InChIKey
QAQTZSBWVPRFJE-UHFFFAOYSA-N- Molecular formula
- C17H21NO3
- Average molar mass
- 287.35 g/mol
- Monoisotopic mass
- 287.15214353
Names & identifiers
- Preferred name
- F 1668
- IUPAC
- 2-[[(1-hydroxy-1-phenylpropan-2-yl)amino]methyl]-6-methoxyphenol
- English name
- α-[1-[(2-Hydroxy-3-methoxybenzyl)amino]ethyl]benzyl alcohol
- Molecular formula
- C17H21NO3
- Molecular weight
- 287.35354
Names & synonyms
F 1668BRN 214698868398-02-7alpha-(1-((2-Hydroxy-3-methoxybenzyl)amino)ethyl)benzyl alcohol2-13-00-00477 (Beilstein Handbook Reference)BENZYL ALCOHOL, alpha-(1-((2-HYDROXY-3-METHOXYBENZYL)AMINO)ETHYL)-Benzenemethanol, alpha-(1-(((2-hydroxy-3-methoxyphenyl)methyl)amino)ethyl)-RefChem:345334DTXSID809879612-{[(1-Hydroxy-1-phenylpropan-2-yl)amino]methyl}-6-methoxyphenolF-1668α-[1-[(2-Hydroxy-3-methoxybenzyl)amino]ethyl]benzyl alcohol
Database identifiers
- CAS
68398-02-7- PubChem CID
- 50179
- DTXSID
DTXSID80987961- Nikkaji
- J69.867I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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