N-methyl-N-[2-(methylamino)ethyl]aniline

• ChemBase ID: 272045
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: N(c1ccccc1)(CCNC)C
• Canonical SMILES: CNCCN(c1ccccc1)C
• InChI: InChI=1S/C10H16N2/c1-11-8-9-12(2)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
• InChIKey: AIIUZOINSAAJMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(methylamino)ethyl]aniline
• IUPAC Traditional name: N-methyl-N-[2-(methylamino)ethyl]aniline
• Synonyms: N-methyl-N-[2-(methylamino)ethyl]aniline

Database IDs

• MDL Number: MFCD11154964
• PubChem SID: 164327955
• PubChem CID: 13843035

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4719752
• LogD (pH = 7.4): -0.47051492
• Log P: 1.7168863
• Molar Refractivity: 53.211 cm^3
• Polarizability: 20.400393 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.945

Product Information

• Purity: 95%