8-methyl-3-phenylquinolin-2-amine

• ChemBase ID: 805088
• Molecular Formular: C16H14N2
• Molecular Mass: 234.29576
• Monoisotopic Mass: 234.11569846
• SMILES: c1c(c2c(cc1)cc(c(n2)N)c1ccccc1)C
• Canonical SMILES: Nc1nc2c(cc1c1ccccc1)cccc2C
• InChI: InChI=1S/C16H14N2/c1-11-6-5-9-13-10-14(16(17)18-15(11)13)12-7-3-2-4-8-12/h2-10H,1H3,(H2,17,18)
• InChIKey: QAAOTNYNLLBMGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-3-phenylquinolin-2-amine
• IUPAC Traditional name: 8-methyl-3-phenylquinolin-2-amine
• Synonyms: 2-AMINO-8-METHYL-3-PHENYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5850909
• LogD (pH = 7.4): 4.0461655
• Log P: 4.057079
• Molar Refractivity: 75.1706 cm^3
• Polarizability: 31.03769 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%