1-[4-(cyclopentyloxy)phenyl]propan-1-amine

• ChemBase ID: 273125
• Molecular Formular: C14H21NO
• Molecular Mass: 219.32264
• Monoisotopic Mass: 219.1623143
• SMILES: c1(ccc(OC2CCCC2)cc1)C(N)CC
• Canonical SMILES: CCC(c1ccc(cc1)OC1CCCC1)N
• InChI: InChI=1S/C14H21NO/c1-2-14(15)11-7-9-13(10-8-11)16-12-5-3-4-6-12/h7-10,12,14H,2-6,15H2,1H3
• InChIKey: SOTHMQDFMAKNCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(cyclopentyloxy)phenyl]propan-1-amine
• IUPAC Traditional name: 1-[4-(cyclopentyloxy)phenyl]propan-1-amine
• Synonyms: 1-[4-(cyclopentyloxy)phenyl]propan-1-amine

Database IDs

• MDL Number: MFCD09737878
• PubChem SID: 164329035
• PubChem CID: 16791086

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.22692311
• LogD (pH = 7.4): 0.95537096
• Log P: 3.2351422
• Molar Refractivity: 66.3506 cm^3
• Polarizability: 26.55784 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.323

Product Information

• Purity: 95%