2-(2-ethylphenoxy)aniline

• ChemBase ID: 19524
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: O(c1c(N)cccc1)c1c(CC)cccc1
• Canonical SMILES: CCc1ccccc1Oc1ccccc1N
• InChI: InChI=1S/C14H15NO/c1-2-11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3-10H,2,15H2,1H3
• InChIKey: VUPZVJHAGZKOEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-ethylphenoxy)aniline
• IUPAC Traditional name: 2-(2-ethylphenoxy)aniline
• Synonyms: 2-(2-Ethylphenoxy)aniline

Database IDs

• MDL Number: MFCD08687763
• PubChem SID: 160982831
• PubChem CID: 23128409

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.6006432
• LogD (pH = 7.4): 3.6025724
• Log P: 3.602597
• Molar Refractivity: 66.6414 cm^3
• Polarizability: 25.43713 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