2-(2-cyclohexylethoxy)-5-(trifluoromethyl)aniline

• ChemBase ID: 19714
• Molecular Formular: C15H20F3NO
• Molecular Mass: 287.3206096
• Monoisotopic Mass: 287.14969893
• SMILES: C(c1cc(c(cc1)OCCC1CCCCC1)N)(F)(F)F
• Canonical SMILES: Nc1cc(ccc1OCCC1CCCCC1)C(F)(F)F
• InChI: InChI=1S/C15H20F3NO/c16-15(17,18)12-6-7-14(13(19)10-12)20-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9,19H2
• InChIKey: WREMNZKRKUWBEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-cyclohexylethoxy)-5-(trifluoromethyl)aniline
• IUPAC Traditional name: 2-(2-cyclohexylethoxy)-5-(trifluoromethyl)aniline
• Synonyms: 2-(2-Cyclohexylethoxy)-5-(trifluoromethyl)aniline

Database IDs

• MDL Number: MFCD08687491
• PubChem SID: 160983021
• PubChem CID: 26189340

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.3414903
• LogD (pH = 7.4): 4.345346
• Log P: 4.345395
• Molar Refractivity: 73.6183 cm^3
• Polarizability: 27.182636 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false