2,4-diphenylpyrrolidine

• ChemBase ID: 50310
• Molecular Formular: C16H17N
• Molecular Mass: 223.31288
• Monoisotopic Mass: 223.13609955
• SMILES: N1C(CC(C1)c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)C1NCC(C1)c1ccccc1
• InChI: InChI=1S/C16H17N/c1-3-7-13(8-4-1)15-11-16(17-12-15)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2
• InChIKey: OKZYNEJPWCDXSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-diphenylpyrrolidine
• IUPAC Traditional name: 2,4-diphenylpyrrolidine
• Synonyms: 2,4-Diphenylpyrrolidine

Database IDs

• MDL Number: MFCD13562920
• PubChem SID: 162055073
• PubChem CID: 2750779

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.25813004
• LogD (pH = 7.4): 0.5029778
• Log P: 3.495936
• Molar Refractivity: 71.0838 cm^3
• Polarizability: 28.10651 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false