(6-methoxyquinolin-3-yl)methanamine

• ChemBase ID: 238856
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: n1c2c(cc(c1)CN)cc(cc2)OC
• Canonical SMILES: NCc1cnc2c(c1)cc(cc2)OC
• InChI: InChI=1S/C11H12N2O/c1-14-10-2-3-11-9(5-10)4-8(6-12)7-13-11/h2-5,7H,6,12H2,1H3
• InChIKey: FKDSEEWLKXQOIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-methoxyquinolin-3-yl)methanamine
• IUPAC Traditional name: (6-methoxyquinolin-3-yl)methanamine
• Synonyms: (6-methoxyquinolin-3-yl)methanamine

Database IDs

• MDL Number: MFCD19285484
• PubChem SID: 164294766
• PubChem CID: 71695503

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8496741
• LogD (pH = 7.4): -0.68074226
• Log P: 1.0989976
• Molar Refractivity: 54.9159 cm^3
• Polarizability: 22.873716 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.276

Product Information

• Purity: 95%