Basic information
- CAS
299435-92-0- Standard SMILES
CNCC[C@@H](Oc1ccccc1CO)c1ccccc1- InChIKey
FYSYNTKLUNOCQR-QGZVFWFLSA-N- Molecular formula
- C17H21NO2
- Average molar mass
- 271.35 g/mol
- Monoisotopic mass
- 271.15722891
Names & identifiers
- Preferred name
- 2-((1R)-3-(Methylamino)-1-phenylpropoxy)benzenemethanol
- IUPAC
- [2-[(1R)-3-(methylamino)-1-phenylpropoxy]phenyl]methanol
Names & synonyms
2-Hydroxymethylatomoxetine98EAX636XEBenzenemethanol, 2-[(1R)-3-(methylamino)-1-phenylpropoxy]-2-((1R)-3-(Methylamino)-1-phenylpropoxy)benzenemethanolBenzenemethanol, 2-((1R)-3-(methylamino)-1-phenylpropoxy)-DTXSID80432320RefChem:197491DTXCID60383149299435-92-02-Hydroxymethyl AtomoxetieneUNII-98EAX636XE[2-[(1R)-3-(methylamino)-1-phenylpropoxy]phenyl]methanol
Show more names
{2-[(1R)-3-(Methylamino)-1-phenylpropoxy]phenyl}methanolSCHEMBL8011254NS00116453
Database identifiers
- CAS
299435-92-0- PubChem CID
- 9881925
- DTXSID
DTXSID80432320- UNII
- 98EAX636XE
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 253
Chemistry & industry
Pharmacology
Metabolism/Metabolites2-Hydroxymethyatomoxetine has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[[2-[(1R)-3-(methylamino)-1-phenylpropoxy]phenyl]methoxy]oxane-2-carboxylic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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