4-(2-cyclohexylethoxy)-N-{[4-(propan-2-yl)phenyl]methyl}aniline

• ChemBase ID: 29641
• Molecular Formular: C24H33NO
• Molecular Mass: 351.52492
• Monoisotopic Mass: 351.25621468
• SMILES: c1(ccc(CNc2ccc(cc2)OCCC2CCCCC2)cc1)C(C)C
• Canonical SMILES: CC(c1ccc(cc1)CNc1ccc(cc1)OCCC1CCCCC1)C
• InChI: InChI=1S/C24H33NO/c1-19(2)22-10-8-21(9-11-22)18-25-23-12-14-24(15-13-23)26-17-16-20-6-4-3-5-7-20/h8-15,19-20,25H,3-7,16-18H2,1-2H3
• InChIKey: ADXFSHSUYCUAAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-cyclohexylethoxy)-N-{[4-(propan-2-yl)phenyl]methyl}aniline
• IUPAC Traditional name: 4-(2-cyclohexylethoxy)-N-[(4-isopropylphenyl)methyl]aniline
• Synonyms: N-[4-(2-Cyclohexylethoxy)phenyl]-N-(4-isopropylbenzyl)amine

Database IDs

• MDL Number: MFCD10688230
• PubChem SID: 160992948
• PubChem CID: 28309027

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 6.6323004
• LogD (pH = 7.4): 6.7372165
• Log P: 6.7387333
• Molar Refractivity: 111.9414 cm^3
• Polarizability: 43.09542 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