ethyl[(4-ethylphenyl)methyl]amine

• ChemBase ID: 312525
• Molecular Formular: C11H17N
• Molecular Mass: 163.25938
• Monoisotopic Mass: 163.13609955
• SMILES: N(Cc1ccc(cc1)CC)CC
• Canonical SMILES: CCNCc1ccc(cc1)CC
• InChI: InChI=1S/C11H17N/c1-3-10-5-7-11(8-6-10)9-12-4-2/h5-8,12H,3-4,9H2,1-2H3
• InChIKey: QBYGBJWEJFPUOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[(4-ethylphenyl)methyl]amine
• IUPAC Traditional name: ethyl[(4-ethylphenyl)methyl]amine
• Synonyms: N-(4-ethylbenzyl)ethanamine

Database IDs

• CAS Number: 869941-67-3
• MDL Number: MFCD04560112

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.36049622
• LogD (pH = 7.4): 0.48903048
• Log P: 2.8463926
• Molar Refractivity: 53.6968 cm^3
• Polarizability: 21.05452 Å^3
• Polar Surface Area: 12.03 Å^2