2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine

C14H14N2S — CID 3745859

IUPAC2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine
SMILESNCC(c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H14N2S/c15-8-11(14-6-3-7-17-14)12-9-16-13-5-2-1-4-10(12)13/h1-7,9,11,16H,8,15H2
InChIKeyQLJAEMUUZBSJJF-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.32
Rot. Bonds3

About 2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine

2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine (PubChem CID 3745859) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine
PubChem CID3745859
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine
SMILESNCC(c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H14N2S/c15-8-11(14-6-3-7-17-14)12-9-16-13-5-2-1-4-10(12)13/h1-7,9,11,16H,8,15H2
InChIKeyQLJAEMUUZBSJJF-UHFFFAOYSA-N
XLogP3.32
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine?
The IUPAC name of 2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine (CID 3745859) is 2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for 2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine is NCC(c1cccs1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine?
The InChIKey is QLJAEMUUZBSJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c15-8-11(14-6-3-7-17-14)12-9-16-13-5-2-1-4-10(12)13/h1-7,9,11,16H,8,15H2.
What are the key properties of 2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine?
2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine has a molecular weight of 242.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 3745859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).