4-(2-cyclohexylethoxy)-2-methylaniline

• ChemBase ID: 20487
• Molecular Formular: C15H23NO
• Molecular Mass: 233.34922
• Monoisotopic Mass: 233.17796436
• SMILES: c1(c(ccc(c1)OCCC1CCCCC1)N)C
• Canonical SMILES: Nc1ccc(cc1C)OCCC1CCCCC1
• InChI: InChI=1S/C15H23NO/c1-12-11-14(7-8-15(12)16)17-10-9-13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,16H2,1H3
• InChIKey: PVDQSTAYGBLCKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-cyclohexylethoxy)-2-methylaniline
• IUPAC Traditional name: 4-(2-cyclohexylethoxy)-2-methylaniline
• Synonyms: 4-(2-Cyclohexylethoxy)-2-methylaniline

Database IDs

• MDL Number: MFCD08687487
• PubChem SID: 160983794
• PubChem CID: 26190245

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.8763506
• LogD (pH = 7.4): 3.9794793
• Log P: 3.9809682
• Molar Refractivity: 72.6858 cm^3
• Polarizability: 27.93049 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