(2-methoxyquinolin-4-yl)methanamine

• ChemBase ID: 283168
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: n1c(cc(c2c1cccc2)CN)OC
• Canonical SMILES: NCc1cc(OC)nc2c1cccc2
• InChI: InChI=1S/C11H12N2O/c1-14-11-6-8(7-12)9-4-2-3-5-10(9)13-11/h2-6H,7,12H2,1H3
• InChIKey: VZLFOYPOCKNHBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyquinolin-4-yl)methanamine
• IUPAC Traditional name: (2-methoxyquinolin-4-yl)methanamine
• Synonyms: (2-methoxyquinolin-4-yl)methanamine

Database IDs

• MDL Number: MFCD16704220
• PubChem SID: 180668699
• PubChem CID: 54595650

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2899432
• LogD (pH = 7.4): -0.31636465
• Log P: 1.6934552
• Molar Refractivity: 55.2294 cm^3
• Polarizability: 22.877787 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79 - 81°C
• Hydrophobicity(logP): 1.801

Product Information

• Purity: 95%