benzyl[2-(2-ethoxyphenoxy)ethyl]amine

• ChemBase ID: 161535
• Molecular Formular: C17H21NO2
• Molecular Mass: 271.35414
• Monoisotopic Mass: 271.15722892
• SMILES: c1ccc(c(c1)OCC)OCCNCc1ccccc1
• Canonical SMILES: CCOc1ccccc1OCCNCc1ccccc1
• InChI: InChI=1S/C17H21NO2/c1-2-19-16-10-6-7-11-17(16)20-13-12-18-14-15-8-4-3-5-9-15/h3-11,18H,2,12-14H2,1H3
• InChIKey: LHJMJOOOLKOGGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[2-(2-ethoxyphenoxy)ethyl]amine
• IUPAC Traditional name: benzyl[2-(2-ethoxyphenoxy)ethyl]amine
• Synonyms: N-[2-(2-Ethoxyphenoxy)ethyl]benzenemethanamine; N-Benzyl-N-(2-ethoxyphenoxy)ethylamine

Database IDs

• CAS Number: 434312-10-4
• PubChem SID: 162255670
• PubChem CID: 29973256

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.26206002
• LogD (pH = 7.4): 1.5818344
• Log P: 3.374781
• Molar Refractivity: 81.07 cm^3
• Polarizability: 32.03447 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Dichloromethane; Ethyl Acetate
• Apperance: Colourless Liquid