[1-(2,4-dimethylphenyl)ethyl](methyl)amine

• ChemBase ID: 255623
• Molecular Formular: C11H17N
• Molecular Mass: 163.25938
• Monoisotopic Mass: 163.13609955
• SMILES: c1(c(cc(cc1)C)C)C(NC)C
• Canonical SMILES: CNC(c1ccc(cc1C)C)C
• InChI: InChI=1S/C11H17N/c1-8-5-6-11(9(2)7-8)10(3)12-4/h5-7,10,12H,1-4H3
• InChIKey: XTNFDYBRUMIEEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2,4-dimethylphenyl)ethyl](methyl)amine
• IUPAC Traditional name: [1-(2,4-dimethylphenyl)ethyl](methyl)amine
• Synonyms: [1-(2,4-dimethylphenyl)ethyl](methyl)amine

Database IDs

• MDL Number: MFCD09049453
• PubChem SID: 164311533
• PubChem CID: 16776999

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.2353983
• LogD (pH = 7.4): 0.5766571
• Log P: 2.9750125
• Molar Refractivity: 53.8072 cm^3
• Polarizability: 20.97294 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.767

Product Information

• Purity: 95%