8-methoxy-2-methylquinolin-5-amine

• ChemBase ID: 308221
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: c12c(ccc(n1)C)c(ccc2OC)N
• Canonical SMILES: COc1ccc(c2c1nc(C)cc2)N
• InChI: InChI=1S/C11H12N2O/c1-7-3-4-8-9(12)5-6-10(14-2)11(8)13-7/h3-6H,12H2,1-2H3
• InChIKey: YHFLZEYAFJKRPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-2-methylquinolin-5-amine
• IUPAC Traditional name: 8-methoxy-2-methylquinolin-5-amine
• Synonyms: 8-methoxy-2-methyl-5-quinolinamine

Database IDs

• CAS Number: 82450-28-0
• MDL Number: MFCD11053933

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2477466
• LogD (pH = 7.4): 1.2753102
• Log P: 1.2756734
• Molar Refractivity: 55.7344 cm^3
• Polarizability: 22.394232 Å^3
• Polar Surface Area: 48.14 Å^2