2-cyclopentyl-2-phenylethan-1-amine

• ChemBase ID: 308145
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: C(c1ccccc1)(C1CCCC1)CN
• Canonical SMILES: NCC(c1ccccc1)C1CCCC1
• InChI: InChI=1S/C13H19N/c14-10-13(12-8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,14H2
• InChIKey: NHWNEYSOKMSPAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentyl-2-phenylethan-1-amine
• IUPAC Traditional name: 2-cyclopentyl-2-phenylethanamine
• Synonyms: (2-cyclopentyl-2-phenylethyl)amine

Database IDs

• CAS Number: 175343-28-9
• MDL Number: MFCD09787931

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.100016996
• LogD (pH = 7.4): 0.60809785
• Log P: 2.9096475
• Molar Refractivity: 60.3074 cm^3
• Polarizability: 24.005297 Å^3
• Polar Surface Area: 26.02 Å^2