Metabolite (R)-(-)-Mexiletine, 2-OH-hydroxymethyl

Name
(R)-(-)-Mexiletine, 2-OH-hydroxymethyl
Description
Not Available
Structure
Thumb
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]N([H])[C@]([H])(C([H])([H])[H])C([H])([H])OC1=C(C([H])=C([H])C([H])=C1C([H])([H])[H])C([H])([H])O
Reactions
External Links
Not Available
Predicted Properties
PropertyValueSource
Water Solubility2.45 mg/mLALOGPS
logP0.75ALOGPS
logP1.18ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)14.76ChemAxon
pKa (Strongest Basic)9.52ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area55.48 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity56.75 m3·mol-1ChemAxon
Polarizability21.89 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon