N-methylquinolin-5-amine

• ChemBase ID: 244441
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: c12c(NC)cccc1nccc2
• Canonical SMILES: CNc1cccc2c1cccn2
• InChI: InChI=1S/C10H10N2/c1-11-9-5-2-6-10-8(9)4-3-7-12-10/h2-7,11H,1H3
• InChIKey: BDLNGDAQWHSFBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylquinolin-5-amine
• IUPAC Traditional name: N-methylquinolin-5-amine
• Synonyms: N-methylquinolin-5-amine

Database IDs

• MDL Number: MFCD08692776
• PubChem SID: 164300351
• PubChem CID: 348010

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.444019
• LogD (pH = 7.4): 1.601207
• Log P: 1.6036786
• Molar Refractivity: 50.1731 cm^3
• Polarizability: 20.009115 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 125 - 127°C
• Hydrophobicity(logP): 2.257

Product Information

• Purity: 95%