2-(2-Aminopropoxy)-3-methylbenzenemethanol
Basic information
- CAS
53566-98-6- Standard SMILES
Cc1cccc(CO)c1OCC(C)N- InChIKey
XMJYSMLLWRQQAE-UHFFFAOYSA-N- Molecular formula
- C11H17NO2
- Average molar mass
- 195.26 g/mol
- Monoisotopic mass
- 195.12592879
Overview
2-hydroxymexiletine is an aromatic ether.
Names & identifiers
- Preferred name
- 2-(2-Aminopropoxy)-3-methylbenzenemethanol
- IUPAC
- [2-(2-aminopropoxy)-3-methylphenyl]methanol
- English name
- [2-(2-Aminopropoxy)-3-methylphenyl]methanol
- Molecular formula
- C11H17NO2
- Molecular weight
- 195.26
Names & synonyms
[2-(2-Aminopropoxy)-3-methylphenyl]methanol53566-98-66-Hydroxymethylmexiletine0G7UJL9QZJBenzenemethanol, 2-(2-aminopropoxy)-3-methyl-DTXSID00968333KO-2259(2-(2-AMINOPROPOXY)-3-METHYLPHENYL)METHANOLRefChem:909140DTXCID7013959162-(2-Aminopropoxy)-3-methylbenzenemethanolHydroxymethylmexiletine
Show more names
1-(2-Hydroxymethyl-6-methylphenoxy)propan-2-amine1-Methyl-2-[2-(hydroxymethyl)-6-methylphenoxy]ethanamine
2-hydroxymexiletineUNII-0G7UJL9QZJSCHEMBL30854906CHEBI:172437XMJYSMLLWRQQAE-UHFFFAOYSA-NDB-290437[2-(2-Aminopropoxy)-3-methylphenyl ]methanol[2-(2-Aminopropoxy)-3-methylphenyl]methanol #
Database identifiers
- CAS
53566-98-6- PubChem CID
- 93285
- DTXSID
DTXSID00968333- ChEBI
CHEBI:172437- UNII
- 0G7UJL9QZJ
- Nikkaji
- J391.090C
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 55.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 328.5 · 328.5±37.0 °C(Predicted)
- Density
- 1.081 · 1.081±0.06 g/cm3(Predicted)
- pka
- 14.42 · 14.42±0.10(Predicted)
- FDA UNII
- 0 G7UJL9QZJ · 0G7UJL9QZJ
Chemistry & industry
Pharmacology
Tissue LocationsKidney
Cellular LocationsCytoplasm
Applications
UsesHydroxymethylmexiletine is a hydroxylated analog of mexiletine (M340800) an antiarrhythmic (class IB).
Additional notes
DefinitionChEBI: 2-hydroxymexiletine is an aromatic ether.
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Compound notes
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