Metabolite 2-hydroxymexiletine
- Name
- 2-hydroxymexiletine
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- 0G7UJL9QZJ
- CAS number
- Not Available
- Weight
- Average: 195.2582
Monoisotopic: 195.125928793 - Chemical Formula
- C11H17NO2
- InChI Key
- XMJYSMLLWRQQAE-UHFFFAOYSA-N
- InChI
- InChI=1S/C11H17NO2/c1-8-4-3-5-10(6-13)11(8)14-7-9(2)12/h3-5,9,13H,6-7,12H2,1-2H3
- IUPAC Name
- [2-(2-aminopropoxy)-3-methylphenyl]methanol
- SMILES
- CC(N)COC1=C(C)C=CC=C1CO
- Reactions
- Mexiletine 2-hydroxymexiletine
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 152.5717775 predictedDarkChem Lite v0.1.0 [M-H]- 138.7593 predictedDeepCCS 1.0 (2019) [M+H]+ 153.0340775 predictedDarkChem Lite v0.1.0 [M+H]+ 142.27455 predictedDeepCCS 1.0 (2019) [M+Na]+ 152.2180775 predictedDarkChem Lite v0.1.0 [M+Na]+ 151.58217 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0060953
- ChemSpider
- 84216
- ChEBI
- 172437
- Predicted Properties
Property Value Source Water Solubility 2.45 mg/mL ALOGPS logP 0.75 ALOGPS logP 1.18 Chemaxon logS -1.9 ALOGPS pKa (Strongest Acidic) 14.76 Chemaxon pKa (Strongest Basic) 9.52 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 55.48 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 56.75 m3·mol-1 Chemaxon Polarizability 22.03 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon