N-ethyl-4-phenoxyaniline

• ChemBase ID: 28864
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: O(c1ccc(NCC)cc1)c1ccccc1
• Canonical SMILES: CCNc1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C14H15NO/c1-2-15-12-8-10-14(11-9-12)16-13-6-4-3-5-7-13/h3-11,15H,2H2,1H3
• InChIKey: SKNFEKIHODSONX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-4-phenoxyaniline
• IUPAC Traditional name: N-ethyl-4-phenoxyaniline
• Synonyms: N-Ethyl-N-(4-phenoxyphenyl)amine

Database IDs

• MDL Number: MFCD03210684
• PubChem SID: 160992171
• PubChem CID: 20270735

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.0624726
• LogD (pH = 7.4): 3.2990816
• Log P: 3.3031192
• Molar Refractivity: 67.2412 cm^3
• Polarizability: 25.514257 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false