2-(2-cyclohexylethoxy)-5-methylaniline

• ChemBase ID: 19789
• Molecular Formular: C15H23NO
• Molecular Mass: 233.34922
• Monoisotopic Mass: 233.17796436
• SMILES: c1(c(ccc(c1)C)OCCC1CCCCC1)N
• Canonical SMILES: Cc1ccc(c(c1)N)OCCC1CCCCC1
• InChI: InChI=1S/C15H23NO/c1-12-7-8-15(14(16)11-12)17-10-9-13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,16H2,1H3
• InChIKey: UUIOBWOOTCRSFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08687486
• PubChem SID: 160983096
• PubChem CID: 26189426

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.9216526
• LogD (pH = 7.4): 3.980168
• Log P: 3.9809682
• Molar Refractivity: 72.6858 cm^3
• Polarizability: 27.931944 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false