4-(2-ethoxyphenoxy)aniline

• ChemBase ID: 20125
• Molecular Formular: C14H15NO2
• Molecular Mass: 229.2744
• Monoisotopic Mass: 229.11027873
• SMILES: c1(Oc2ccc(N)cc2)c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1Oc1ccc(cc1)N
• InChI: InChI=1S/C14H15NO2/c1-2-16-13-5-3-4-6-14(13)17-12-9-7-11(15)8-10-12/h3-10H,2,15H2,1H3
• InChIKey: KFQSFBNEKJCKPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-ethoxyphenoxy)aniline
• IUPAC Traditional name: 4-(2-ethoxyphenoxy)aniline
• Synonyms: 4-(2-Ethoxyphenoxy)aniline

Database IDs

• MDL Number: MFCD02663351
• PubChem SID: 160983432
• PubChem CID: 7139217

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8220365
• LogD (pH = 7.4): 2.8434634
• Log P: 2.8437438
• Molar Refractivity: 68.211 cm^3
• Polarizability: 26.161976 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false