3-[2-(diethylamino)ethoxy]-4-methoxyaniline

• ChemBase ID: 266664
• Molecular Formular: C13H22N2O2
• Molecular Mass: 238.32598
• Monoisotopic Mass: 238.16812795
• SMILES: c1(cc(N)ccc1OC)OCCN(CC)CC
• Canonical SMILES: CCN(CCOc1cc(N)ccc1OC)CC
• InChI: InChI=1S/C13H22N2O2/c1-4-15(5-2)8-9-17-13-10-11(14)6-7-12(13)16-3/h6-7,10H,4-5,8-9,14H2,1-3H3
• InChIKey: ZMJOPFJGFAZEDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(diethylamino)ethoxy]-4-methoxyaniline
• IUPAC Traditional name: 3-[2-(diethylamino)ethoxy]-4-methoxyaniline
• Synonyms: 3-[2-(diethylamino)ethoxy]-4-methoxyaniline

Database IDs

• MDL Number: MFCD09742482
• PubChem SID: 164322574
• PubChem CID: 11817266

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.8180466
• LogD (pH = 7.4): -0.30426466
• Log P: 1.5612378
• Molar Refractivity: 71.2011 cm^3
• Polarizability: 27.238714 Å^3
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.84

Product Information

• Purity: 95%