2-N-benzyl-2-N-methylpyridine-2,5-diamine

• ChemBase ID: 48333
• Molecular Formular: C13H15N3
• Molecular Mass: 213.2783
• Monoisotopic Mass: 213.1265975
• SMILES: n1c(N(Cc2ccccc2)C)ccc(c1)N
• Canonical SMILES: Nc1ccc(nc1)N(Cc1ccccc1)C
• InChI: InChI=1S/C13H15N3/c1-16(10-11-5-3-2-4-6-11)13-8-7-12(14)9-15-13/h2-9H,10,14H2,1H3
• InChIKey: UNGGFHOYAUJICW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N-benzyl-2-N-methylpyridine-2,5-diamine
• IUPAC Traditional name: 2-N-benzyl-2-N-methylpyridine-2,5-diamine
• Synonyms: N2-Benzyl-N2-methyl-2,5-pyridinediamine; 2-N-benzyl-2-N-methylpyridine-2,5-diamine

Database IDs

• MDL Number: MFCD09812641
• PubChem SID: 162053096
• PubChem CID: 18069947

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2105532
• LogD (pH = 7.4): 2.2454824
• Log P: 2.353622
• Molar Refractivity: 67.9562 cm^3
• Polarizability: 25.002655 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.8

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%