2-(3-phenylpropyl)pyrrolidine

• ChemBase ID: 240484
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: N1C(CCCc2ccccc2)CCC1
• Canonical SMILES: C1CNC(C1)CCCc1ccccc1
• InChI: InChI=1S/C13H19N/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-14-13/h1-3,6-7,13-14H,4-5,8-11H2
• InChIKey: NDXMZQWEQVHWOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD02663488
• PubChem SID: 164296394
• PubChem CID: 4441818

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.066350505
• LogD (pH = 7.4): -0.013770965
• Log P: 3.1749578
• Molar Refractivity: 60.4742 cm^3
• Polarizability: 24.007421 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.371

Product Information

• Purity: 95%