[2-(4-ethylphenoxy)ethyl](furan-2-ylmethyl)amine hydrochloride

• ChemBase ID: 29140
• Molecular Formular: C15H20ClNO2
• Molecular Mass: 281.7778
• Monoisotopic Mass: 281.11825657
• SMILES: C(COc1ccc(cc1)CC)NCc1occc1.Cl
• Canonical SMILES: CCc1ccc(cc1)OCCNCc1ccco1.Cl
• InChI: InChI=1S/C15H19NO2.ClH/c1-2-13-5-7-14(8-6-13)18-11-9-16-12-15-4-3-10-17-15;/h3-8,10,16H,2,9,11-12H2,1H3;1H
• InChIKey: VWHQDNADTPFOMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-ethylphenoxy)ethyl](furan-2-ylmethyl)amine hydrochloride
• IUPAC Traditional name: [2-(4-ethylphenoxy)ethyl](furan-2-ylmethyl)amine hydrochloride
• Synonyms: 2-(4-Ethylphenoxy)-N-(2-furylmethyl )-1-ethanamine hydrochloride

Database IDs

• MDL Number: MFCD10687767
• PubChem SID: 160992447
• PubChem CID: 66545406

CALCULATED PROPERTIES

• LogD (pH = 5.5): 0.7666744
• LogD (pH = 7.4): 2.4993114
• Log P: 3.193881
• Molar Refractivity: 71.8913 cm^3
• Polarizability: 28.120768 Å^3
• Polar Surface Area: 34.4 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false