2-(2,5-dichlorothiophen-3-yl)-N-methylethanamine

C7H9Cl2NS — CID 54039317

IUPAC2-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
SMILESCNCCc1cc(Cl)sc1Cl
InChIInChI=1S/C7H9Cl2NS/c1-10-3-2-5-4-6(8)11-7(5)9/h4,10H,2-3H2,1H3
InChIKeyLLFHWAVJXMRKHB-UHFFFAOYSA-N
MW210.13 g/mol
LogP2.82
Rot. Bonds3

About 2-(2,5-dichlorothiophen-3-yl)-N-methylethanamine

2-(2,5-dichlorothiophen-3-yl)-N-methylethanamine (PubChem CID 54039317) has the molecular formula C7H9Cl2NS and a molecular weight of 210.13 g/mol. Its IUPAC name is 2-(2,5-dichlorothiophen-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
PubChem CID54039317
Molecular FormulaC7H9Cl2NS
Molecular Weight210.13 g/mol
Exact Mass208.98
IUPAC Name2-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
SMILESCNCCc1cc(Cl)sc1Cl
InChIInChI=1S/C7H9Cl2NS/c1-10-3-2-5-4-6(8)11-7(5)9/h4,10H,2-3H2,1H3
InChIKeyLLFHWAVJXMRKHB-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-dichlorothiophen-3-yl)-N-methylethanamine 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-(2,5-dichlorothiophen-3-yl)-N-methylethanamine?
The IUPAC name of 2-(2,5-dichlorothiophen-3-yl)-N-methylethanamine (CID 54039317) is 2-(2,5-dichlorothiophen-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2,5-dichlorothiophen-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(2,5-dichlorothiophen-3-yl)-N-methylethanamine is CNCCc1cc(Cl)sc1Cl.
What is the InChIKey of 2-(2,5-dichlorothiophen-3-yl)-N-methylethanamine?
The InChIKey is LLFHWAVJXMRKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2NS/c1-10-3-2-5-4-6(8)11-7(5)9/h4,10H,2-3H2,1H3.
What are the key properties of 2-(2,5-dichlorothiophen-3-yl)-N-methylethanamine?
2-(2,5-dichlorothiophen-3-yl)-N-methylethanamine has a molecular weight of 210.13 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorothiophen-3-yl)-N-methylethanamine is sourced from PubChem (CID 54039317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).