2-phenyl-1-(pyridin-2-yl)ethan-1-amine

• ChemBase ID: 281440
• Molecular Formular: C13H14N2
• Molecular Mass: 198.26366
• Monoisotopic Mass: 198.11569846
• SMILES: n1c(C(Cc2ccccc2)N)cccc1
• Canonical SMILES: NC(c1ccccn1)Cc1ccccc1
• InChI: InChI=1S/C13H14N2/c14-12(13-8-4-5-9-15-13)10-11-6-2-1-3-7-11/h1-9,12H,10,14H2
• InChIKey: UVVZCVILTRYDBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12024756
• PubChem SID: 180666971
• PubChem CID: 9813051

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.63520396
• LogD (pH = 7.4): 0.838936
• Log P: 2.1879044
• Molar Refractivity: 60.9652 cm^3
• Polarizability: 24.207869 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.474

Product Information

• Purity: 95%