2-(2-phenylethyl)cyclopentan-1-amine

• ChemBase ID: 234878
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: C1(CCc2ccccc2)C(N)CCC1
• Canonical SMILES: NC1CCCC1CCc1ccccc1
• InChI: InChI=1S/C13H19N/c14-13-8-4-7-12(13)10-9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10,14H2
• InChIKey: IHXFUYTXTVDHIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-phenylethyl)cyclopentan-1-amine
• IUPAC Traditional name: 2-(2-phenylethyl)cyclopentan-1-amine
• Synonyms: 2-(2-phenylethyl)cyclopentan-1-amine

Database IDs

• MDL Number: MFCD16824901
• PubChem SID: 164290788
• PubChem CID: 12350911

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.0887786
• LogD (pH = 7.4): 0.35605666
• Log P: 3.1171572
• Molar Refractivity: 60.1006 cm^3
• Polarizability: 24.007406 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.274

Product Information

• Purity: 95%