N-(2-aminoethyl)-N-ethyl-2-methylaniline

• ChemBase ID: 258308
• Molecular Formular: C11H18N2
• Molecular Mass: 178.27402
• Monoisotopic Mass: 178.14699859
• SMILES: c1(N(CCN)CC)c(C)cccc1
• Canonical SMILES: NCCN(c1ccccc1C)CC
• InChI: InChI=1S/C11H18N2/c1-3-13(9-8-12)11-7-5-4-6-10(11)2/h4-7H,3,8-9,12H2,1-2H3
• InChIKey: HLZWKCVSDNBLDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)-N-ethyl-2-methylaniline
• IUPAC Traditional name: N-(2-aminoethyl)-N-ethyl-2-methylaniline
• Synonyms: N-(2-aminoethyl)-N-ethyl-N-(2-methylphenyl)amine

Database IDs

• MDL Number: MFCD09803969
• PubChem SID: 164314218
• PubChem CID: 21890871

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8457813
• LogD (pH = 7.4): 0.0040276847
• Log P: 2.1545353
• Molar Refractivity: 58.2262 cm^3
• Polarizability: 22.166214 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.669

Product Information

• Purity: 95%