4-[2-(morpholin-4-yl)ethoxy]-2-(trifluoromethyl)aniline

• ChemBase ID: 20267
• Molecular Formular: C13H17F3N2O2
• Molecular Mass: 290.2814896
• Monoisotopic Mass: 290.12421245
• SMILES: c1(C(F)(F)F)c(ccc(c1)OCCN1CCOCC1)N
• Canonical SMILES: Nc1ccc(cc1C(F)(F)F)OCCN1CCOCC1
• InChI: InChI=1S/C13H17F3N2O2/c14-13(15,16)11-9-10(1-2-12(11)17)20-8-5-18-3-6-19-7-4-18/h1-2,9H,3-8,17H2
• InChIKey: CYKHBCYAOBGAPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(morpholin-4-yl)ethoxy]-2-(trifluoromethyl)aniline
• IUPAC Traditional name: 4-[2-(morpholin-4-yl)ethoxy]-2-(trifluoromethyl)aniline
• Synonyms: 4-[2-(4-Morpholinyl)ethoxy]-2-(trifluoromethyl)-phenylamine

Database IDs

• MDL Number: MFCD08688415
• PubChem SID: 160983574
• PubChem CID: 26189878

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.48395061
• LogD (pH = 7.4): 1.5932322
• Log P: 1.6646411
• Molar Refractivity: 70.2889 cm^3
• Polarizability: 25.836887 Å^3
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false