(6-methoxyquinolin-2-yl)methanamine

• ChemBase ID: 812630
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: C(N)c1ccc2c(ccc(c2)OC)n1
• Canonical SMILES: COc1ccc2c(c1)ccc(n2)CN
• InChI: InChI=1S/C11H12N2O/c1-14-10-4-5-11-8(6-10)2-3-9(7-12)13-11/h2-6H,7,12H2,1H3
• InChIKey: ZBKHZFIOMANXDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-methoxyquinolin-2-yl)methanamine
• IUPAC Traditional name: (6-methoxyquinolin-2-yl)methanamine
• Synonyms: (6-METHOXYQUINOLIN-2-YL)METHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5713058
• LogD (pH = 7.4): -0.014188116
• Log P: 1.1804695
• Molar Refractivity: 54.3937 cm^3
• Polarizability: 22.87453 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%