structure of [1-(1-benzofuran-2-yl)ethyl](methyl)amine

[1-(1-benzofuran-2-yl)ethyl](methyl)amine

CAS No.: 100127-74-0
M. Wt: 175.22700
M. Fa: C11H13NO
InChI Key: JLKRQCDKFNFEIQ-UHFFFAOYSA-N

Names and Identifiers of 100127-74-0

CAS Number

100127-74-0

MDL Number

MFCD09813144

IUPAC Name

[1-(1-benzofuran-2-yl)ethyl](methyl)amine

InChI

InChI=1S/C11H13NO/c1-8(12-2)11-7-9-5-3-4-6-10(9)13-11/h3-8,12H,1-2H3

InChIKey

JLKRQCDKFNFEIQ-UHFFFAOYSA-N

Canonical SMILES

CNC(C)C1=CC2=CC=CC=C2O1

UNSPSC Code

12352100

Physical and chemical properties of 100127-74-0

Exact Mass

175.10000

H Bond Acceptors

1

H Bond Donors

1

LogP

3.10410

Molecular Formula

C11H13NO

Molecular Weight

175.22700

PSA

25.17000

Safety Information of 100127-74-0

Pictograms

Signal Word

Danger

Safety Data Sheet

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

Applications of 100127-74-0

The applications of amine span various fields:

  • Pharmaceutical Development: Its unique structure makes it a candidate for developing new drugs targeting neurological disorders.
  • Chemical Probes: Used in research to study receptor interactions and signaling pathways.
  • Material Science: Potential applications in creating novel materials with specific electronic or optical properties due to its organic nature.

Interaction Studies of 100127-74-0

Interaction studies involving amine focus on its binding affinity and activity against various biological targets:

  • Receptor Binding Assays: These studies assess how well the compound binds to neurotransmitter receptors, which is crucial for understanding its potential therapeutic effects.
  • In Vitro Studies: Evaluating the compound's effects on cell lines can provide insights into its mechanism of action and toxicity profiles.
  • Computational Modeling: Molecular docking studies help predict how this compound interacts with target proteins at the molecular level, guiding further experimental designs.

Biological Activity of 100127-74-0

Research indicates that compounds similar to amine exhibit various biological activities, including:

  • Neuroprotective Effects: Some benzofuran derivatives have shown promise in protecting neuronal cells against oxidative stress.
  • Antidepressant Activity: Certain analogs have been evaluated for their potential antidepressant effects, possibly through modulation of neurotransmitter systems.
  • Antimicrobial Properties: Compounds featuring similar structures have demonstrated antibacterial and antifungal activities, making them candidates for further pharmacological studies.