2-(2-ethoxyphenyl)aniline

• ChemBase ID: 31162
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: c1(c2c(OCC)cccc2)c(N)cccc1
• Canonical SMILES: CCOc1ccccc1c1ccccc1N
• InChI: InChI=1S/C14H15NO/c1-2-16-14-10-6-4-8-12(14)11-7-3-5-9-13(11)15/h3-10H,2,15H2,1H3
• InChIKey: PHPIOZKKCCRTJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-ethoxyphenyl)aniline
• IUPAC Traditional name: 2-(2-ethoxyphenyl)aniline
• Synonyms: 2'-Ethoxy-biphenyl-2-ylamine

Database IDs

• MDL Number: MFCD09039370
• PubChem SID: 160994469
• PubChem CID: 18524064

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9833217
• LogD (pH = 7.4): 2.9905884
• Log P: 2.990682
• Molar Refractivity: 67.1064 cm^3
• Polarizability: 26.877462 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false