2-(5-bromothiophen-2-yl)ethanamine

C6H8BrNS — CID 4961947

IUPAC2-(5-bromothiophen-2-yl)ethanamine
SMILESNCCc1ccc(Br)s1
InChIInChI=1S/C6H8BrNS/c7-6-2-1-5(9-6)3-4-8/h1-2H,3-4,8H2
InChIKeyFXHZCFUULHJHBY-UHFFFAOYSA-N
MW206.11 g/mol
LogP2.01
Rot. Bonds2

About 2-(5-bromothiophen-2-yl)ethanamine

2-(5-bromothiophen-2-yl)ethanamine (PubChem CID 4961947) has the molecular formula C6H8BrNS and a molecular weight of 206.11 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)ethanamine
PubChem CID4961947
Molecular FormulaC6H8BrNS
Molecular Weight206.11 g/mol
Exact Mass204.96
IUPAC Name2-(5-bromothiophen-2-yl)ethanamine
SMILESNCCc1ccc(Br)s1
InChIInChI=1S/C6H8BrNS/c7-6-2-1-5(9-6)3-4-8/h1-2H,3-4,8H2
InChIKeyFXHZCFUULHJHBY-UHFFFAOYSA-N
XLogP2.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.11
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-bromothiophen-2-yl)ethanamine 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-(5-bromothiophen-2-yl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)ethanamine (CID 4961947) is 2-(5-bromothiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)ethanamine is NCCc1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)ethanamine?
The InChIKey is FXHZCFUULHJHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNS/c7-6-2-1-5(9-6)3-4-8/h1-2H,3-4,8H2.
What are the key properties of 2-(5-bromothiophen-2-yl)ethanamine?
2-(5-bromothiophen-2-yl)ethanamine has a molecular weight of 206.11 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)ethanamine is sourced from PubChem (CID 4961947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).