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

Name
(R)-(-)-Mexiletine, m-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
LBHCZYGJQAXJSW-MRVPVSSYSA-N
InChI
InChI=1S/C11H17NO2/c1-7-4-5-10(13)9(3)11(7)14-6-8(2)12/h4-5,8,13H,6,12H2,1-3H3/t8-/m1/s1
IUPAC Name
3-[(2R)-2-aminopropoxy]-2,4-dimethylphenol
SMILES
[H]N([H])[C@]([H])(C([H])([H])[H])C([H])([H])OC1=C(C(O)=C([H])C([H])=C1C([H])([H])[H])C([H])([H])[H]
Reactions
External Links
ChemSpider
30829861
ChEMBL
CHEMBL2401841
Predicted Properties
PropertyValueSource
Water Solubility3.83 mg/mLALOGPS
logP0.94ALOGPS
logP1.87ChemAxon
logS-1.7ALOGPS
pKa (Strongest Acidic)10.38ChemAxon
pKa (Strongest Basic)9.45ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area55.48 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity56.95 m3·mol-1ChemAxon
Polarizability21.95 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon