2-(aminomethyl)-N-cyclohexyl-N-ethylaniline

• ChemBase ID: 49113
• Molecular Formular: C15H24N2
• Molecular Mass: 232.36446
• Monoisotopic Mass: 232.19394878
• SMILES: N(c1c(CN)cccc1)(C1CCCCC1)CC
• Canonical SMILES: CCN(c1ccccc1CN)C1CCCCC1
• InChI: InChI=1S/C15H24N2/c1-2-17(14-9-4-3-5-10-14)15-11-7-6-8-13(15)12-16/h6-8,11,14H,2-5,9-10,12,16H2,1H3
• InChIKey: BZSMVCLROJQTER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(aminomethyl)-N-cyclohexyl-N-ethylaniline
• IUPAC Traditional name: 2-(aminomethyl)-N-cyclohexyl-N-ethylaniline
• Synonyms: 2-(Aminomethyl)-N-cyclohexyl-N-ethylaniline

Database IDs

• MDL Number: MFCD11155606
• PubChem SID: 162053876
• PubChem CID: 28600883

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.41131932
• LogD (pH = 7.4): 1.6998962
• Log P: 3.3631365
• Molar Refractivity: 74.7228 cm^3
• Polarizability: 28.88729 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false