2-chloro-N-ethylaniline

• ChemBase ID: 255582
• Molecular Formular: C8H10ClN
• Molecular Mass: 155.6247
• Monoisotopic Mass: 155.05017701
• SMILES: c1(c(Cl)cccc1)NCC
• Canonical SMILES: CCNc1ccccc1Cl
• InChI: InChI=1S/C8H10ClN/c1-2-10-8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3
• InChIKey: OMQUELHMHMORKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-ethylaniline
• IUPAC Traditional name: 2-chloro-N-ethylaniline
• Synonyms: 2-chloro-N-ethylaniline

Database IDs

• MDL Number: MFCD00792552
• PubChem SID: 164311492
• PubChem CID: 587815

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3993685
• LogD (pH = 7.4): 2.4067812
• Log P: 2.4068766
• Molar Refractivity: 45.8052 cm^3
• Polarizability: 17.013842 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.185

Product Information

• Purity: 95%