2-[4-(cyclopentyloxy)phenyl]ethan-1-amine hydrochloride

• ChemBase ID: 267097
• Molecular Formular: C13H20ClNO
• Molecular Mass: 241.757
• Monoisotopic Mass: 241.12334195
• SMILES: O(c1ccc(cc1)CCN)C1CCCC1.Cl
• Canonical SMILES: NCCc1ccc(cc1)OC1CCCC1.Cl
• InChI: InChI=1S/C13H19NO.ClH/c14-10-9-11-5-7-13(8-6-11)15-12-3-1-2-4-12;/h5-8,12H,1-4,9-10,14H2;1H
• InChIKey: JOGDKPSQYLPTEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(cyclopentyloxy)phenyl]ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-[4-(cyclopentyloxy)phenyl]ethanamine hydrochloride
• Synonyms: 2-[4-(cyclopentyloxy)phenyl]ethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD16040133
• PubChem SID: 164323007
• PubChem CID: 47002932

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.42647105
• LogD (pH = 7.4): 0.2592008
• Log P: 2.584706
• Molar Refractivity: 62.1628 cm^3
• Polarizability: 24.634954 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 206 - 208°C
• Hydrophobicity(logP): 2.824

Product Information

• Purity: 95%