[1-(3,5-dimethylphenyl)cyclopentyl]methanamine

• ChemBase ID: 308159
• Molecular Formular: C14H21N
• Molecular Mass: 203.32324
• Monoisotopic Mass: 203.16739968
• SMILES: c1(C2(CN)CCCC2)cc(cc(c1)C)C
• Canonical SMILES: NCC1(CCCC1)c1cc(C)cc(c1)C
• InChI: InChI=1S/C14H21N/c1-11-7-12(2)9-13(8-11)14(10-15)5-3-4-6-14/h7-9H,3-6,10,15H2,1-2H3
• InChIKey: TYQXXAYOCSKPQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(3,5-dimethylphenyl)cyclopentyl]methanamine
• IUPAC Traditional name: [1-(3,5-dimethylphenyl)cyclopentyl]methanamine
• Synonyms: 1-[1-(3,5-dimethylphenyl)cyclopentyl]methanamine

Database IDs

• CAS Number: 1060817-13-1
• MDL Number: MFCD11053925

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.595876
• LogD (pH = 7.4): 1.541968
• Log P: 3.5829034
• Molar Refractivity: 65.6383 cm^3
• Polarizability: 25.688087 Å^3
• Polar Surface Area: 26.02 Å^2