2-[(ethylamino)methyl]-N,N-dimethylaniline

• ChemBase ID: 59495
• Molecular Formular: C11H18N2
• Molecular Mass: 178.27402
• Monoisotopic Mass: 178.14699859
• SMILES: c1(c(CNCC)cccc1)N(C)C
• Canonical SMILES: CCNCc1ccccc1N(C)C
• InChI: InChI=1S/C11H18N2/c1-4-12-9-10-7-5-6-8-11(10)13(2)3/h5-8,12H,4,9H2,1-3H3
• InChIKey: AWFPQTKNDUIHRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(ethylamino)methyl]-N,N-dimethylaniline
• IUPAC Traditional name: 2-[(ethylamino)methyl]-N,N-dimethylaniline
• Synonyms: [2-(Dimethylamino)benzyl]ethylamine

Database IDs

• MDL Number: MFCD11630738
• PubChem SID: 162064258
• PubChem CID: 43281268

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1750385
• LogD (pH = 7.4): -0.06827201
• Log P: 1.9964465
• Molar Refractivity: 58.4832 cm^3
• Polarizability: 22.242674 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false