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

• ChemBase ID: 275646
• Molecular Formular: C14H16N2
• Molecular Mass: 212.29024
• Monoisotopic Mass: 212.13134852
• SMILES: n1c(C(Cc2ccc(cc2)C)N)cccc1
• Canonical SMILES: Cc1ccc(cc1)CC(c1ccccn1)N
• InChI: InChI=1S/C14H16N2/c1-11-5-7-12(8-6-11)10-13(15)14-4-2-3-9-16-14/h2-9,13H,10,15H2,1H3
• InChIKey: GUZDWEYVNRADMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12153909
• PubChem SID: 164331556
• PubChem CID: 22300075

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.12856849
• LogD (pH = 7.4): 1.3355792
• Log P: 2.7013257
• Molar Refractivity: 66.0064 cm^3
• Polarizability: 25.973194 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.973

Product Information

• Purity: 95%