[2-(cyclopentyloxy)-4-methylphenyl]methanamine

• ChemBase ID: 236854
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: c1(c(ccc(c1)C)CN)OC1CCCC1
• Canonical SMILES: NCc1ccc(cc1OC1CCCC1)C
• InChI: InChI=1S/C13H19NO/c1-10-6-7-11(9-14)13(8-10)15-12-4-2-3-5-12/h6-8,12H,2-5,9,14H2,1H3
• InChIKey: SKUQMTPVDPTNMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(cyclopentyloxy)-4-methylphenyl]methanamine
• IUPAC Traditional name: [2-(cyclopentyloxy)-4-methylphenyl]methanamine
• Synonyms: [2-(cyclopentyloxy)-4-methylphenyl]methanamine

Database IDs

• MDL Number: MFCD16704876
• PubChem SID: 164292764
• PubChem CID: 62306942

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.09575969
• LogD (pH = 7.4): 1.2162976
• Log P: 2.8094661
• Molar Refractivity: 62.449 cm^3
• Polarizability: 24.632719 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.984

Product Information

• Purity: 95%