2-(2-phenylpropan-2-yl)pyrrolidine

• ChemBase ID: 266349
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: C(C1NCCC1)(c1ccccc1)(C)C
• Canonical SMILES: CC(c1ccccc1)(C1CCCN1)C
• InChI: InChI=1S/C13H19N/c1-13(2,12-9-6-10-14-12)11-7-4-3-5-8-11/h3-5,7-8,12,14H,6,9-10H2,1-2H3
• InChIKey: PICOUQAMNMBZQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-phenylpropan-2-yl)pyrrolidine
• IUPAC Traditional name: 2-(2-phenylpropan-2-yl)pyrrolidine
• Synonyms: 2-(2-phenylpropan-2-yl)pyrrolidine

Database IDs

• MDL Number: MFCD09811452
• PubChem SID: 164322259
• PubChem CID: 20113778

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.21144472
• LogD (pH = 7.4): -0.09046455
• Log P: 3.028794
• Molar Refractivity: 60.1419 cm^3
• Polarizability: 24.004597 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.261

Product Information

• Purity: 95%