2-(diphenylmethyl)pyrrolidine

• ChemBase ID: 125265
• Molecular Formular: C17H19N
• Molecular Mass: 237.33946
• Monoisotopic Mass: 237.15174961
• SMILES: c1cc(ccc1)C(c1ccccc1)C1NCCC1
• Canonical SMILES: C1CNC(C1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C17H19N/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15/h1-6,8-11,16-18H,7,12-13H2
• InChIKey: OXOBKZZXZVFOBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(diphenylmethyl)pyrrolidine
• IUPAC Traditional name: 2-diphenylmethylpyrrolidine
• Synonyms: 2-Diphenylmethylpyrrolidine

Database IDs

• CAS Number: 119237-64-8
• PubChem SID: 162219615
• PubChem CID: 1295
• Chemspider ID: 1256
• Wikipedia Title: 2-Diphenylmethylpyrrolidine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.54428446
• LogD (pH = 7.4): 0.6608741
• Log P: 3.7845972
• Molar Refractivity: 75.8388 cm^3
• Polarizability: 29.953854 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true