{1-[4-(propan-2-yl)phenyl]cyclopentyl}methanamine

• ChemBase ID: 272266
• Molecular Formular: C15H23N
• Molecular Mass: 217.34982
• Monoisotopic Mass: 217.18304974
• SMILES: C1(c2ccc(cc2)C(C)C)(CN)CCCC1
• Canonical SMILES: NCC1(CCCC1)c1ccc(cc1)C(C)C
• InChI: InChI=1S/C15H23N/c1-12(2)13-5-7-14(8-6-13)15(11-16)9-3-4-10-15/h5-8,12H,3-4,9-11,16H2,1-2H3
• InChIKey: ARDIFXXOUXZMBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[4-(propan-2-yl)phenyl]cyclopentyl}methanamine
• IUPAC Traditional name: [1-(4-isopropylphenyl)cyclopentyl]methanamine
• Synonyms: {1-[4-(propan-2-yl)phenyl]cyclopentyl}methanamine

Database IDs

• MDL Number: MFCD11188968
• PubChem SID: 164328176
• PubChem CID: 28937933

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.81339324
• LogD (pH = 7.4): 1.7543559
• Log P: 3.8010697
• Molar Refractivity: 69.7467 cm^3
• Polarizability: 27.614712 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.412

Product Information

• Purity: 95%