1-[4-(cyclopentyloxy)-3-methoxyphenyl]ethan-1-amine

• ChemBase ID: 258671
• Molecular Formular: C14H21NO2
• Molecular Mass: 235.32204
• Monoisotopic Mass: 235.15722892
• SMILES: c1(c(cc(cc1)C(N)C)OC)OC1CCCC1
• Canonical SMILES: COc1cc(ccc1OC1CCCC1)C(N)C
• InChI: InChI=1S/C14H21NO2/c1-10(15)11-7-8-13(14(9-11)16-2)17-12-5-3-4-6-12/h7-10,12H,3-6,15H2,1-2H3
• InChIKey: RZGNZRQYSDWAFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(cyclopentyloxy)-3-methoxyphenyl]ethan-1-amine
• IUPAC Traditional name: 1-[4-(cyclopentyloxy)-3-methoxyphenyl]ethanamine
• Synonyms: 1-[4-(cyclopentyloxy)-3-methoxyphenyl]ethan-1-amine

Database IDs

• MDL Number: MFCD09737924
• PubChem SID: 164314581
• PubChem CID: 16791131

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.44616434
• LogD (pH = 7.4): 0.36947018
• Log P: 2.5549486
• Molar Refractivity: 68.2898 cm^3
• Polarizability: 27.210512 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.533

Product Information

• Purity: 95%