2-(1-phenylpropyl)pyrrolidine

• ChemBase ID: 285362
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: N1C(C(c2ccccc2)CC)CCC1
• Canonical SMILES: CCC(c1ccccc1)C1CCCN1
• InChI: InChI=1S/C13H19N/c1-2-12(13-9-6-10-14-13)11-7-4-3-5-8-11/h3-5,7-8,12-14H,2,6,9-10H2,1H3
• InChIKey: LISOICDQKSFEOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-phenylpropyl)pyrrolidine
• IUPAC Traditional name: 2-(1-phenylpropyl)pyrrolidine
• Synonyms: 2-(1-phenylpropyl)pyrrolidine

Database IDs

• MDL Number: MFCD02663487
• PubChem SID: 180670893
• PubChem CID: 3613825

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.1452978
• LogD (pH = 7.4): -0.049945574
• Log P: 3.095362
• Molar Refractivity: 60.3448 cm^3
• Polarizability: 24.005295 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.391

Product Information

• Purity: 95%