(1-phenylethyl)(pyridin-4-ylmethyl)amine

• ChemBase ID: 16827
• Molecular Formular: C14H16N2
• Molecular Mass: 212.29024
• Monoisotopic Mass: 212.13134852
• SMILES: c1(C(NCc2ccncc2)C)ccccc1
• Canonical SMILES: CC(c1ccccc1)NCc1ccncc1
• InChI: InChI=1S/C14H16N2/c1-12(14-5-3-2-4-6-14)16-11-13-7-9-15-10-8-13/h2-10,12,16H,11H2,1H3
• InChIKey: RRAGLXJZCODDRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-phenylethyl)(pyridin-4-ylmethyl)amine
• IUPAC Traditional name: (1-phenylethyl)(pyridin-4-ylmethyl)amine
• Synonyms: (1-Phenyl-ethyl)-pyridin-4-ylmethyl-amine; N-(1-phenylethyl)-N-(pyridin-4-ylmethyl)amine

Database IDs

• MDL Number: MFCD01475086
• PubChem SID: 160980134
• PubChem CID: 2760380

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.54509854
• LogD (pH = 7.4): 0.9803453
• Log P: 2.4549704
• Molar Refractivity: 66.1805 cm^3
• Polarizability: 26.132484 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.48

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%