2-(2-methylphenyl)pyrrolidine hydrochloride

• ChemBase ID: 240056
• Molecular Formular: C11H16ClN
• Molecular Mass: 197.70444
• Monoisotopic Mass: 197.0971272
• SMILES: c1(C2NCCC2)c(C)cccc1.Cl
• Canonical SMILES: Cc1ccccc1C1CCCN1.Cl
• InChI: InChI=1S/C11H15N.ClH/c1-9-5-2-3-6-10(9)11-7-4-8-12-11;/h2-3,5-6,11-12H,4,7-8H2,1H3;1H
• InChIKey: HNRKKCHTNWTYLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09754420
• PubChem SID: 164295966
• PubChem CID: 66518553

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

Product Information

• Purity: 95%