2-(4-tert-butylphenyl)pyrrolidine

• ChemBase ID: 259921
• Molecular Formular: C14H21N
• Molecular Mass: 203.32324
• Monoisotopic Mass: 203.16739968
• SMILES: N1C(c2ccc(C(C)(C)C)cc2)CCC1
• Canonical SMILES: CC(c1ccc(cc1)C1CCCN1)(C)C
• InChI: InChI=1S/C14H21N/c1-14(2,3)12-8-6-11(7-9-12)13-5-4-10-15-13/h6-9,13,15H,4-5,10H2,1-3H3
• InChIKey: JFBLTILAHRPXNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-tert-butylphenyl)pyrrolidine
• IUPAC Traditional name: 2-(4-tert-butylphenyl)pyrrolidine
• Synonyms: 2-(4-tert-butylphenyl)pyrrolidine

Database IDs

• MDL Number: MFCD02663422
• PubChem SID: 164315831
• PubChem CID: 4279820

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.3049257
• LogD (pH = 7.4): 0.57197624
• Log P: 3.5422153
• Molar Refractivity: 65.1831 cm^3
• Polarizability: 25.84722 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.76

Product Information

• Purity: 95%