2-methyl-3-phenylpyrrolidine

• ChemBase ID: 236010
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: N1C(C(c2ccccc2)CC1)C
• Canonical SMILES: CC1NCCC1c1ccccc1
• InChI: InChI=1S/C11H15N/c1-9-11(7-8-12-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
• InChIKey: JZLQMGWQLRCDIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3-phenylpyrrolidine
• IUPAC Traditional name: 2-methyl-3-phenylpyrrolidine
• Synonyms: 2-methyl-3-phenylpyrrolidine

Database IDs

• MDL Number: MFCD16737603
• PubChem SID: 164291920
• PubChem CID: 62353947

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1117427
• LogD (pH = 7.4): -0.97765505
• Log P: 2.1282709
• Molar Refractivity: 51.2198 cm^3
• Polarizability: 20.311136 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.453

Product Information

• Purity: 95%