2-(4-methylphenyl)-1-(pyridin-3-yl)ethan-1-amine

• ChemBase ID: 275519
• Molecular Formular: C14H16N2
• Molecular Mass: 212.29024
• Monoisotopic Mass: 212.13134852
• SMILES: C(c1cnccc1)(Cc1ccc(cc1)C)N
• Canonical SMILES: Cc1ccc(cc1)CC(c1cccnc1)N
• InChI: InChI=1S/C14H16N2/c1-11-4-6-12(7-5-11)9-14(15)13-3-2-8-16-10-13/h2-8,10,14H,9,15H2,1H3
• InChIKey: HCRKBJLZKQRRRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methylphenyl)-1-(pyridin-3-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4-methylphenyl)-1-(pyridin-3-yl)ethanamine
• Synonyms: 2-(4-methylphenyl)-1-(pyridin-3-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD12153931
• PubChem SID: 164331429
• PubChem CID: 22299447

CALCULATED PROPERTIES

• Log P: 2.4676647
• Molar Refractivity: 66.4535 cm^3
• Polarizability: 25.972322 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.50942963
• LogD (pH = 7.4): 0.52030724

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.973

Product Information

• Purity: 95%