structure of n-(1-Phenylethyl)pyridin-2-amine

n-(1-Phenylethyl)pyridin-2-amine

CAS No.: 81936-48-3
M. Wt: 198.26
M. Fa: C13H14N2
InChI Key: IWMMJPDCLGWNLZ-UHFFFAOYSA-N

Names and Identifiers of n-(1-Phenylethyl)pyridin-2-amine

CAS Number

81936-48-3

MDL Number

MFCD11122791

IUPAC Name

N-(1-phenylethyl)pyridin-2-amine

InChI

InChI=1S/C13H14N2/c1-11(12-7-3-2-4-8-12)15-13-9-5-6-10-14-13/h2-11H,1H3,(H,14,15)

InChIKey

IWMMJPDCLGWNLZ-UHFFFAOYSA-N

Canonical SMILES

CC(NC1=CC=CC=N1)C1=CC=CC=C1

UNSPSC Code

12352100

Physical and chemical properties of n-(1-Phenylethyl)pyridin-2-amine

H Bond Acceptors

2

H Bond Donors

1

LogP

2.96385718833333

Molecular Formula

C13H14N2

Molecular Weight

198.26

Safety Information of n-(1-Phenylethyl)pyridin-2-amine

Pictograms

Signal Word

Warning

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of n-(1-Phenylethyl)pyridin-2-amine

N-(1-phenylethyl)pyridin-2-amine has diverse applications across different fields:

  • Pharmaceuticals: As a precursor or active ingredient in the development of drugs targeting various diseases due to its biological activity.
  • Material Science: Its derivatives are explored for use in non-linear optical materials and sensors due to their unique electronic properties.
  • Agriculture: Compounds related to this structure may be investigated for their potential use as agrochemicals.

Interaction Studies of n-(1-Phenylethyl)pyridin-2-amine

Interaction studies involving N-(1-phenylethyl)pyridin-2-amine have focused on its binding affinities and interactions with biological targets:

  • Protein-Ligand Interactions: Studies using molecular docking simulations have provided insights into how this compound interacts with target proteins, influencing its design as a drug candidate.
  • Receptor Binding Studies: Experimental data have demonstrated its ability to bind selectively to certain receptors, which is crucial for developing targeted therapies.

Biological Activity of n-(1-Phenylethyl)pyridin-2-amine

N-(1-phenylethyl)pyridin-2-amine exhibits notable biological activities, particularly in pharmacology. It has been studied for its potential as an inhibitor of various enzymes and receptors:

  • CYP Enzyme Inhibition: This compound has been identified as an inhibitor of cytochrome P450 enzymes, including CYP1A2 and CYP2C19, which are crucial for drug metabolism.
  • Antimicrobial Properties: Research indicates that derivatives of this compound may possess antimicrobial activity, making them candidates for further development in medicinal chemistry.
  • Neuropharmacological Effects: Some studies suggest that compounds related to N-(1-phenylethyl)pyridin-2-amine may influence neurotransmitter systems, pointing to potential applications in treating neurological disorders.

Retrosynthesis analysis of n-(1-Phenylethyl)pyridin-2-amine

  • Route#1

    Cas:100-41-4
    Cas:504-29-0
    Cas:81936-48-3
  • Route#2

    Cas:504-29-0
    Cas:98-86-2
    Cas:81936-48-3