2-phenylquinolin-4-amine

• ChemBase ID: 229887
• Molecular Formular: C15H12N2
• Molecular Mass: 220.26918
• Monoisotopic Mass: 220.10004839
• SMILES: n1c(cc(c2c1cccc2)N)c1ccccc1
• Canonical SMILES: Nc1cc(nc2c1cccc2)c1ccccc1
• InChI: InChI=1S/C15H12N2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,(H2,16,17)
• InChIKey: URUHKHGBRNTPGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylquinolin-4-amine
• IUPAC Traditional name: 2-phenylquinolin-4-amine
• Synonyms: 2-Phenyl-quinolin-4-ylamine; 2-phenylquinolin-4-amine

Database IDs

• CAS Number: 5855-52-7
• MDL Number: MFCD00814092
• PubChem SID: 164285797
• PubChem CID: 453077

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6920228
• LogD (pH = 7.4): 2.9128
• Log P: 3.33505
• Molar Refractivity: 69.4439 cm^3
• Polarizability: 29.280354 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 56 - 58°C
• Hydrophobicity(logP): 3.8

Product Information

• Purity: 95%