[1-(3-methylphenyl)cyclopentyl]methanamine

• ChemBase ID: 268675
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: C1(c2cc(ccc2)C)(CN)CCCC1
• Canonical SMILES: NCC1(CCCC1)c1cccc(c1)C
• InChI: InChI=1S/C13H19N/c1-11-5-4-6-12(9-11)13(10-14)7-2-3-8-13/h4-6,9H,2-3,7-8,10,14H2,1H3
• InChIKey: CKMVKHSUXDMASI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(3-methylphenyl)cyclopentyl]methanamine
• IUPAC Traditional name: [1-(3-methylphenyl)cyclopentyl]methanamine
• Synonyms: [1-(3-methylphenyl)cyclopentyl]methanamine

Database IDs

• MDL Number: MFCD11642686
• PubChem SID: 164324585
• PubChem CID: 43345645

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.08290812
• LogD (pH = 7.4): 1.0325427
• Log P: 3.0694818
• Molar Refractivity: 60.5971 cm^3
• Polarizability: 23.92267 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.484

Product Information

• Purity: 95%