[(4-ethoxy-3-methoxyphenyl)methyl](ethyl)amine

• ChemBase ID: 248141
• Molecular Formular: C12H19NO2
• Molecular Mass: 209.28476
• Monoisotopic Mass: 209.14157885
• SMILES: c1(c(ccc(c1)CNCC)OCC)OC
• Canonical SMILES: CCNCc1ccc(c(c1)OC)OCC
• InChI: InChI=1S/C12H19NO2/c1-4-13-9-10-6-7-11(15-5-2)12(8-10)14-3/h6-8,13H,4-5,9H2,1-3H3
• InChIKey: VGDPIDJPHACQEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-ethoxy-3-methoxyphenyl)methyl](ethyl)amine
• IUPAC Traditional name: [(4-ethoxy-3-methoxyphenyl)methyl](ethyl)amine
• Synonyms: N-(4-ethoxy-3-methoxybenzyl)-N-ethylamine

Database IDs

• MDL Number: MFCD06655515
• PubChem SID: 164304051
• PubChem CID: 2243528

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2454054
• LogD (pH = 7.4): -0.1629777
• Log P: 1.929868
• Molar Refractivity: 61.7296 cm^3
• Polarizability: 24.256107 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.226

Product Information

• Purity: 95%