2-ethoxy-5-phenylaniline

• ChemBase ID: 10639
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: c1cccc(c1)c1ccc(c(c1)N)OCC
• Canonical SMILES: CCOc1ccc(cc1N)c1ccccc1
• InChI: InChI=1S/C14H15NO/c1-2-16-14-9-8-12(10-13(14)15)11-6-4-3-5-7-11/h3-10H,2,15H2,1H3
• InChIKey: TYWUJHITARZHMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-5-phenylaniline
• IUPAC Traditional name: 2-ethoxy-5-phenylaniline
• Synonyms: 5-Phenyl-o-phenetidine; 4-Ethoxy-[1,1-biphenyl]-3-amine; 3-Amino-4-ethoxybiphenyl

Database IDs

• CAS Number: 856343-44-7
• MDL Number: MFCD03425697
• PubChem SID: 160973946
• PubChem CID: 3801101

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9692833
• LogD (pH = 7.4): 2.9904058
• Log P: 2.990682
• Molar Refractivity: 67.1064 cm^3
• Polarizability: 26.873909 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 98%