2-(2-methylphenyl)pyrrolidine

• ChemBase ID: 76070
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: N1CCCC1c1ccccc1C
• Canonical SMILES: Cc1ccccc1C1CCCN1
• InChI: InChI=1S/C11H15N/c1-9-5-2-3-6-10(9)11-7-4-8-12-11/h2-3,5-6,11-12H,4,7-8H2,1H3
• InChIKey: RSXCTIINURQYGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylphenyl)pyrrolidine
• IUPAC Traditional name: 2-(2-methylphenyl)pyrrolidine
• Synonyms: 2-(2-Methylphenyl)pyrrolidine

Database IDs

• CAS Number: 129540-23-4
• MDL Number: MFCD02663451
• PubChem SID: 162040988
• PubChem CID: 3861698

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.72691876
• LogD (pH = 7.4): -0.46874297
• Log P: 2.5105805
• Molar Refractivity: 51.5584 cm^3
• Polarizability: 20.309036 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.383

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%