2-ethoxy-N-hexylaniline

• ChemBase ID: 29136
• Molecular Formular: C14H23NO
• Molecular Mass: 221.33852
• Monoisotopic Mass: 221.17796436
• SMILES: c1(c(OCC)cccc1)NCCCCCC
• Canonical SMILES: CCCCCCNc1ccccc1OCC
• InChI: InChI=1S/C14H23NO/c1-3-5-6-9-12-15-13-10-7-8-11-14(13)16-4-2/h7-8,10-11,15H,3-6,9,12H2,1-2H3
• InChIKey: CXHNMXGMQQUYCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-N-hexylaniline
• IUPAC Traditional name: 2-ethoxy-N-hexylaniline
• Synonyms: N-(2-Ethoxyphenyl)-N-hexylamine

Database IDs

• MDL Number: MFCD10687764
• PubChem SID: 160992443
• PubChem CID: 28308385

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.591125
• LogD (pH = 7.4): 3.853566
• Log P: 3.858197
• Molar Refractivity: 70.5392 cm^3
• Polarizability: 26.903141 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false