2-(4-phenylphenyl)pyrrolidine

• ChemBase ID: 73602
• Molecular Formular: C16H17N
• Molecular Mass: 223.31288
• Monoisotopic Mass: 223.13609955
• SMILES: N1C(c2ccc(cc2)c2ccccc2)CCC1
• Canonical SMILES: C1CNC(C1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C16H17N/c1-2-5-13(6-3-1)14-8-10-15(11-9-14)16-7-4-12-17-16/h1-3,5-6,8-11,16-17H,4,7,12H2
• InChIKey: VFTXXPDSXZVEAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-phenylphenyl)pyrrolidine
• IUPAC Traditional name: 2-(4-phenylphenyl)pyrrolidine
• Synonyms: 2-(Biphenyl-4-yl)pyrrolidine

Database IDs

• CAS Number: 5424-66-8
• MDL Number: MFCD02663454
• PubChem SID: 162038521
• PubChem CID: 224030

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.40809873
• LogD (pH = 7.4): 0.71525675
• Log P: 3.6443846
• Molar Refractivity: 71.6534 cm^3
• Polarizability: 29.641994 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive