3-phenylquinolin-2-amine

• ChemBase ID: 87889
• Molecular Formular: C15H12N2
• Molecular Mass: 220.26918
• Monoisotopic Mass: 220.10004839
• SMILES: n1c(c(cc2ccccc12)c1ccccc1)N
• Canonical SMILES: Nc1nc2ccccc2cc1c1ccccc1
• InChI: InChI=1S/C15H12N2/c16-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)17-15/h1-10H,(H2,16,17)
• InChIKey: CIHDZAQRRFHMLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenylquinolin-2-amine
• IUPAC Traditional name: 3-phenylquinolin-2-amine
• Synonyms: 3-Phenylquinolin-2-amine; (2-Aminoquinolin-3-yl)benzene; 2-Amino-3-phenylquinoline

Database IDs

• CAS Number: 36926-84-8
• MDL Number: MFCD00272522
• PubChem SID: 162074929
• PubChem CID: 12293898

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0881891
• LogD (pH = 7.4): 3.533368
• Log P: 3.5436573
• Molar Refractivity: 70.1294 cm^3
• Polarizability: 29.279322 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Air Sensitive/Store under Argon

Product Information

• Purity: 98%