Metabolite (R)-(-)-Mexiletine, 2-OH-hydroxymethyl
- Name
- (R)-(-)-Mexiletine, 2-OH-hydroxymethyl
- Description
- Not Available
- Structure
Structure for (R)-(-)-Mexiletine, 2-OH-hydroxymethyl
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 195.262
Monoisotopic: 195.125928791 - Chemical Formula
- C11H17NO2
- InChI Key
- XMJYSMLLWRQQAE-SECBINFHSA-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/t9-/m1/s1
- IUPAC Name
- {2-[(2R)-2-aminopropoxy]-3-methylphenyl}methanol
- SMILES
- [H][C@](C)(N)COC1=C(C)C=CC=C1CO
- Reactions
- External Links
- ZINC
- ZINC000006071738
- 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