6-methoxy-3-methylquinolin-2-amine

• ChemBase ID: 816075
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: c1cc2c(cc1OC)cc(c(n2)N)C
• Canonical SMILES: COc1ccc2c(c1)cc(c(n2)N)C
• InChI: InChI=1S/C11H12N2O/c1-7-5-8-6-9(14-2)3-4-10(8)13-11(7)12/h3-6H,1-2H3,(H2,12,13)
• InChIKey: SSTMAHSBGVTIPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-3-methylquinolin-2-amine
• IUPAC Traditional name: 6-methoxy-3-methylquinolin-2-amine
• Synonyms: 2-AMINO-6-METHOXY-3-METHYLQUINOLINE

Database IDs

• CAS Number: 203506-30-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1697736
• LogD (pH = 7.4): 2.1855545
• Log P: 2.2521822
• Molar Refractivity: 56.4976 cm^3
• Polarizability: 22.385324 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%