ethyl[(4-methylphenyl)(pyridin-3-yl)methyl]amine

• ChemBase ID: 272685
• Molecular Formular: C15H18N2
• Molecular Mass: 226.31682
• Monoisotopic Mass: 226.14699859
• SMILES: C(c1cnccc1)(c1ccc(cc1)C)NCC
• Canonical SMILES: CCNC(c1cccnc1)c1ccc(cc1)C
• InChI: InChI=1S/C15H18N2/c1-3-17-15(14-5-4-10-16-11-14)13-8-6-12(2)7-9-13/h4-11,15,17H,3H2,1-2H3
• InChIKey: GFBNKMZAVLMOPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[(4-methylphenyl)(pyridin-3-yl)methyl]amine
• IUPAC Traditional name: ethyl[(4-methylphenyl)(pyridin-3-yl)methyl]amine
• Synonyms: ethyl[(4-methylphenyl)(pyridin-3-yl)methyl]amine

Database IDs

• MDL Number: MFCD12419691
• PubChem SID: 164328595
• PubChem CID: 43489302

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.007924856
• LogD (pH = 7.4): 1.5778118
• Log P: 2.9683917
• Molar Refractivity: 71.2217 cm^3
• Polarizability: 27.896364 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.389

Product Information

• Purity: 95%