2-benzylcyclopentan-1-amine

• ChemBase ID: 276558
• Molecular Formular: C12H17N
• Molecular Mass: 175.27008
• Monoisotopic Mass: 175.13609955
• SMILES: C1(Cc2ccccc2)C(N)CCC1
• Canonical SMILES: NC1CCCC1Cc1ccccc1
• InChI: InChI=1S/C12H17N/c13-12-8-4-7-11(12)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,13H2
• InChIKey: HZWLOFAMCMRCCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzylcyclopentan-1-amine
• IUPAC Traditional name: 2-benzylcyclopentan-1-amine
• Synonyms: 2-benzylcyclopentan-1-amine

Database IDs

• MDL Number: MFCD14653488
• PubChem SID: 164332468
• PubChem CID: 12757861

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.3537042
• LogD (pH = 7.4): -0.007071228
• Log P: 2.6725883
• Molar Refractivity: 55.4996 cm^3
• Polarizability: 22.160099 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.745

Product Information

• Purity: 95%