Metabolite (R)-(-)-Mexiletine, p-hydroxyl

Name
(R)-(-)-Mexiletine, p-hydroxyl
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
YWOSWRCXWBDSRQ-SECBINFHSA-N
InChI
InChI=1S/C11H17NO2/c1-7-4-10(13)5-8(2)11(7)14-6-9(3)12/h4-5,9,13H,6,12H2,1-3H3/t9-/m1/s1
IUPAC Name
4-[(2R)-2-aminopropoxy]-3,5-dimethylphenol
SMILES
[H]N([H])[C@]([H])(C([H])([H])[H])C([H])([H])OC1=C(C([H])=C(O)C([H])=C1C([H])([H])[H])C([H])([H])[H]
Reactions
External Links
Not Available
Predicted Properties
PropertyValueSource
Water Solubility3.35 mg/mLALOGPS
logP0.98ALOGPS
logP1.83ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)10.27ChemAxon
pKa (Strongest Basic)9.43ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area55.48 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity56.95 m3·mol-1ChemAxon
Polarizability22.03 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon