3-(2-methylphenyl)pyrrolidine

• ChemBase ID: 267346
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: c1(c(C)cccc1)C1CNCC1
• Canonical SMILES: Cc1ccccc1C1CNCC1
• InChI: InChI=1S/C11H15N/c1-9-4-2-3-5-11(9)10-6-7-12-8-10/h2-5,10,12H,6-8H2,1H3
• InChIKey: XPZIJQMOVSHKOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methylphenyl)pyrrolidine
• IUPAC Traditional name: 3-(2-methylphenyl)pyrrolidine
• Synonyms: 3-(2-methylphenyl)pyrrolidine

Database IDs

• MDL Number: MFCD06659028
• PubChem SID: 164323256
• PubChem CID: 19882568

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0145116
• LogD (pH = 7.4): -0.8589233
• Log P: 2.2251172
• Molar Refractivity: 51.8422 cm^3
• Polarizability: 20.229588 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

Product Information

• Purity: 95%