2-(4-ethoxyphenoxy)aniline

• ChemBase ID: 19543
• Molecular Formular: C14H15NO2
• Molecular Mass: 229.2744
• Monoisotopic Mass: 229.11027873
• SMILES: c1(Oc2ccc(cc2)OCC)c(N)cccc1
• Canonical SMILES: CCOc1ccc(cc1)Oc1ccccc1N
• InChI: InChI=1S/C14H15NO2/c1-2-16-11-7-9-12(10-8-11)17-14-6-4-3-5-13(14)15/h3-10H,2,15H2,1H3
• InChIKey: PHAAWRWWJUTZOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-ethoxyphenoxy)aniline
• IUPAC Traditional name: 2-(4-ethoxyphenoxy)aniline
• Synonyms: 2-(4-Ethoxyphenoxy)aniline; 2-(4-Ethoxy-phenoxy)-phenylamine

Database IDs

• MDL Number: MFCD04606945
• PubChem SID: 160982850
• PubChem CID: 2442256

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.842426
• LogD (pH = 7.4): 2.843727
• Log P: 2.8437438
• Molar Refractivity: 68.211 cm^3
• Polarizability: 26.161776 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 158 - 160°C
• Hydrophobicity(logP): 3.641

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%