2-(5-chlorothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanamine

C12H10Cl3NS — CID 115841631

IUPAC2-(5-chlorothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)s1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H10Cl3NS/c13-7-1-3-10(14)9(5-7)11(16)6-8-2-4-12(15)17-8/h1-5,11H,6,16H2
InChIKeyDNJMOOATFWOUGL-UHFFFAOYSA-N
MW306.65 g/mol
LogP4.95
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanamine

2-(5-chlorothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanamine (PubChem CID 115841631) has the molecular formula C12H10Cl3NS and a molecular weight of 306.65 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanamine
PubChem CID115841631
Molecular FormulaC12H10Cl3NS
Molecular Weight306.65 g/mol
Exact Mass304.96
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)s1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H10Cl3NS/c13-7-1-3-10(14)9(5-7)11(16)6-8-2-4-12(15)17-8/h1-5,11H,6,16H2
InChIKeyDNJMOOATFWOUGL-UHFFFAOYSA-N
XLogP4.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.65
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-chlorothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 115841430
1-(4-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 62607560
1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 115841576
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 102622560
2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 115841648
2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethanamine
CID 115840906
(1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine
CID 131122702
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 105037869
1-(2,5-dichlorophenyl)-2-(furan-2-yl)ethanamine
CID 105029387
(1S)-1-(2,5-dichlorophenyl)propan-1-amine
CID 26342063
1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanamine
CID 114885921
2-(1-benzothiophen-3-yl)-1-(2,5-dichlorophenyl)ethanamine
CID 115823854

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanamine (CID 115841631) is 2-(5-chlorothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanamine is NC(Cc1ccc(Cl)s1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanamine?
The InChIKey is DNJMOOATFWOUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3NS/c13-7-1-3-10(14)9(5-7)11(16)6-8-2-4-12(15)17-8/h1-5,11H,6,16H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanamine?
2-(5-chlorothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanamine has a molecular weight of 306.65 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanamine is sourced from PubChem (CID 115841631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).