[(8-methoxyquinolin-5-yl)methyl](methyl)amine

• ChemBase ID: 306650
• Molecular Formular: C12H14N2O
• Molecular Mass: 202.25236
• Monoisotopic Mass: 202.11061308
• SMILES: c12c(c(ccc2OC)CNC)cccn1
• Canonical SMILES: CNCc1ccc(c2c1cccn2)OC
• InChI: InChI=1S/C12H14N2O/c1-13-8-9-5-6-11(15-2)12-10(9)4-3-7-14-12/h3-7,13H,8H2,1-2H3
• InChIKey: PBQJRKNTVWCJKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(8-methoxyquinolin-5-yl)methyl](methyl)amine
• IUPAC Traditional name: [(8-methoxyquinolin-5-yl)methyl](methyl)amine
• Synonyms: 1-(8-methoxyquinolin-5-yl)-N-methylmethanamine

Database IDs

• CAS Number: 937647-97-7
• MDL Number: MFCD08572161

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.679943
• LogD (pH = 7.4): -0.8803941
• Log P: 1.5315781
• Molar Refractivity: 59.6905 cm^3
• Polarizability: 24.727943 Å^3
• Polar Surface Area: 34.15 Å^2