N-butyl-4-(2-cyclohexylethoxy)aniline

• ChemBase ID: 29632
• Molecular Formular: C18H29NO
• Molecular Mass: 275.42896
• Monoisotopic Mass: 275.22491455
• SMILES: c1(NCCCC)ccc(cc1)OCCC1CCCCC1
• Canonical SMILES: CCCCNc1ccc(cc1)OCCC1CCCCC1
• InChI: InChI=1S/C18H29NO/c1-2-3-14-19-17-9-11-18(12-10-17)20-15-13-16-7-5-4-6-8-16/h9-12,16,19H,2-8,13-15H2,1H3
• InChIKey: ZUKJWFCXUUWBRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-4-(2-cyclohexylethoxy)aniline
• IUPAC Traditional name: N-butyl-4-(2-cyclohexylethoxy)aniline
• Synonyms: N-Butyl-4-(2-cyclohexylethoxy)aniline

Database IDs

• MDL Number: MFCD10688221
• PubChem SID: 160992939
• PubChem CID: 28309017

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.4396777
• LogD (pH = 7.4): 5.074231
• Log P: 5.0931497
• Molar Refractivity: 87.0116 cm^3
• Polarizability: 33.546696 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false