N-(2-phenylethyl)cyclopentanamine

• ChemBase ID: 307892
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: N(CCc1ccccc1)C1CCCC1
• Canonical SMILES: C1CCC(C1)NCCc1ccccc1
• InChI: InChI=1S/C13H19N/c1-2-6-12(7-3-1)10-11-14-13-8-4-5-9-13/h1-3,6-7,13-14H,4-5,8-11H2
• InChIKey: FGHWNDVNDXTOLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-phenylethyl)cyclopentanamine
• IUPAC Traditional name: N-(2-phenylethyl)cyclopentanamine
• Synonyms: N-(2-phenylethyl)cyclopentanamine

Database IDs

• CAS Number: 160567-89-5
• MDL Number: MFCD08691714

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.058872044
• LogD (pH = 7.4): 0.3328181
• Log P: 3.1749578
• Molar Refractivity: 60.4742 cm^3
• Polarizability: 24.00656 Å^3
• Polar Surface Area: 12.03 Å^2