N-benzyl-6-chloro-N-ethylpyridin-2-amine

• ChemBase ID: 48699
• Molecular Formular: C14H15ClN2
• Molecular Mass: 246.7353
• Monoisotopic Mass: 246.09237617
• SMILES: n1c(N(Cc2ccccc2)CC)cccc1Cl
• Canonical SMILES: CCN(c1cccc(n1)Cl)Cc1ccccc1
• InChI: InChI=1S/C14H15ClN2/c1-2-17(11-12-7-4-3-5-8-12)14-10-6-9-13(15)16-14/h3-10H,2,11H2,1H3
• InChIKey: MMTYAUWWVPCVQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-6-chloro-N-ethylpyridin-2-amine
• IUPAC Traditional name: N-benzyl-6-chloro-N-ethylpyridin-2-amine
• Synonyms: N-Benzyl-6-chloro-N-ethyl-2-pyridinamine

Database IDs

• MDL Number: MFCD13561970
• PubChem SID: 162053462
• PubChem CID: 53410830

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.363173
• LogD (pH = 7.4): 4.3635726
• Log P: 4.363578
• Molar Refractivity: 73.8705 cm^3
• Polarizability: 27.616104 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false