5-(aminomethyl)-N-benzyl-N-ethylpyridin-2-amine

• ChemBase ID: 48584
• Molecular Formular: C15H19N3
• Molecular Mass: 241.33146
• Monoisotopic Mass: 241.15789762
• SMILES: n1c(N(Cc2ccccc2)CC)ccc(c1)CN
• Canonical SMILES: CCN(c1ccc(cn1)CN)Cc1ccccc1
• InChI: InChI=1S/C15H19N3/c1-2-18(12-13-6-4-3-5-7-13)15-9-8-14(10-16)11-17-15/h3-9,11H,2,10,12,16H2,1H3
• InChIKey: OJZZGLPZEFCXEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(aminomethyl)-N-benzyl-N-ethylpyridin-2-amine
• IUPAC Traditional name: 5-(aminomethyl)-N-benzyl-N-ethylpyridin-2-amine
• Synonyms: N-[5-(Aminomethyl)-2-pyridinyl]-N-benzyl-N-ethylamine

Database IDs

• MDL Number: MFCD10694684
• PubChem SID: 162053347
• PubChem CID: 43126014

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.3306875
• LogD (pH = 7.4): 0.8023381
• Log P: 2.6651242
• Molar Refractivity: 76.4778 cm^3
• Polarizability: 29.0915 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false