2-benzyl-N-methylcyclopentan-1-amine

• ChemBase ID: 247714
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: C1(Cc2ccccc2)C(NC)CCC1
• Canonical SMILES: CNC1CCCC1Cc1ccccc1
• InChI: InChI=1S/C13H19N/c1-14-13-9-5-8-12(13)10-11-6-3-2-4-7-11/h2-4,6-7,12-14H,5,8-10H2,1H3
• InChIKey: JNZXFGOAOGHIRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-N-methylcyclopentan-1-amine
• IUPAC Traditional name: 2-benzyl-N-methylcyclopentan-1-amine
• Synonyms: 2-benzyl-N-methylcyclopentan-1-amine

Database IDs

• MDL Number: MFCD14695175
• PubChem SID: 164303624
• PubChem CID: 61381429

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.12955219
• LogD (pH = 7.4): 0.23338674
• Log P: 3.1051688
• Molar Refractivity: 60.2742 cm^3
• Polarizability: 24.007141 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.891

Product Information

• Purity: 95%