2-(1-aminoethyl)-N,N-dimethylaniline

• ChemBase ID: 273595
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: c1(c(N(C)C)cccc1)C(N)C
• Canonical SMILES: CN(c1ccccc1C(N)C)C
• InChI: InChI=1S/C10H16N2/c1-8(11)9-6-4-5-7-10(9)12(2)3/h4-8H,11H2,1-3H3
• InChIKey: CCKNJZLEZJEYDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-aminoethyl)-N,N-dimethylaniline
• IUPAC Traditional name: 2-(1-aminoethyl)-N,N-dimethylaniline
• Synonyms: 2-(1-aminoethyl)-N,N-dimethylaniline

Database IDs

• MDL Number: MFCD11137155
• PubChem SID: 164329505
• PubChem CID: 43188898

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3437912
• LogD (pH = 7.4): -0.25597668
• Log P: 1.6236331
• Molar Refractivity: 53.3788 cm^3
• Polarizability: 20.39537 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.568

Product Information

• Purity: 95%