Basic information
- CAS
55304-17-1- Standard SMILES
Cc1cccc(C)c1OCC(C)NO- InChIKey
ABMUWCMGKRQAIK-UHFFFAOYSA-N- Molecular formula
- C11H17NO2
- Average molar mass
- 195.26 g/mol
- Monoisotopic mass
- 195.12592879
Names & identifiers
- Preferred name
- 1-(2,6-Dimethylphenoxy)-N-hydroxy-2-propanamine
- IUPAC
- N-[1-(2,6-dimethylphenoxy)propan-2-yl]hydroxylamine
Names & synonyms
55304-17-11-(2,6-Dimethylphenoxy)-N-hydroxy-2-propanamineN-[1-(2,6-dimethylphenoxy)propan-2-yl]hydroxylamineMexiletine Impurity 4N-HYDROXY MEXILETINE1-(2,6-Dimethylphenoxy)-N-hydroxypropan-2-amine2-Propanamine, 1-(2,6-dimethylphenoxy)-N-hydroxy-DTXSID80970631NS00116078
Database identifiers
- CAS
55304-17-1- PubChem CID
- 154368
- DTXSID
DTXSID80970631- Nikkaji
- J558.971A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 153
Chemistry & industry
Pharmacology
Metabolism/MetabolitesN-hydroxy-mexiletine has known human metabolites that include (2S,3S,4S,5R)-6-[1-(2,6-dimethylphenoxy)propan-2-ylamino]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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