7-methyl-3-phenylquinolin-2-amine

• ChemBase ID: 816083
• Molecular Formular: C16H14N2
• Molecular Mass: 234.29576
• Monoisotopic Mass: 234.11569846
• SMILES: c1(cc2c(cc1)cc(c(n2)N)c1ccccc1)C
• Canonical SMILES: Cc1ccc2c(c1)nc(c(c2)c1ccccc1)N
• InChI: InChI=1S/C16H14N2/c1-11-7-8-13-10-14(12-5-3-2-4-6-12)16(17)18-15(13)9-11/h2-10H,1H3,(H2,17,18)
• InChIKey: DMHGXHQDKJYRKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-3-phenylquinolin-2-amine
• IUPAC Traditional name: 7-methyl-3-phenylquinolin-2-amine
• Synonyms: 2-AMINO-7-METHYL-3-PHENYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.327833
• LogD (pH = 7.4): 4.0323715
• Log P: 4.057079
• Molar Refractivity: 75.1706 cm^3
• Polarizability: 31.035135 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%