2-(2-chloro-6-fluorophenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-ethylethanamine

C15H16Cl2FNS — CID 102763897

IUPAC2-(2-chloro-6-fluorophenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1c(F)cccc1Cl)c1cc(C)c(Cl)s1
InChIInChI=1S/C15H16Cl2FNS/c1-3-19-13(14-7-9(2)15(17)20-14)8-10-11(16)5-4-6-12(10)18/h4-7,13,19H,3,8H2,1-2H3
InChIKeyUJZSHVHQBBYCKY-UHFFFAOYSA-N
MW332.27 g/mol
LogP5.40
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-ethylethanamine

2-(2-chloro-6-fluorophenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-ethylethanamine (PubChem CID 102763897) has the molecular formula C15H16Cl2FNS and a molecular weight of 332.27 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
PubChem CID102763897
Molecular FormulaC15H16Cl2FNS
Molecular Weight332.27 g/mol
Exact Mass331.04
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1c(F)cccc1Cl)c1cc(C)c(Cl)s1
InChIInChI=1S/C15H16Cl2FNS/c1-3-19-13(14-7-9(2)15(17)20-14)8-10-11(16)5-4-6-12(10)18/h4-7,13,19H,3,8H2,1-2H3
InChIKeyUJZSHVHQBBYCKY-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.27
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-ethylethanamine 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

2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 63413996
2-(2-chloro-6-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106857068
2-(2-chloro-3-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 105032393
1-(4-bromo-3-chlorophenyl)-2-(2-chloro-6-fluorophenyl)-N-ethylethanamine
CID 81293136
N-[2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497746
1-(5-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 114886290
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine
CID 105105535
N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 80531060
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63962445
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 79990464
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 80531238
1-(5-bromo-4-methylthiophen-2-yl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107891675

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-ethylethanamine (CID 102763897) is 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-ethylethanamine is CCNC(Cc1c(F)cccc1Cl)c1cc(C)c(Cl)s1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-ethylethanamine?
The InChIKey is UJZSHVHQBBYCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2FNS/c1-3-19-13(14-7-9(2)15(17)20-14)8-10-11(16)5-4-6-12(10)18/h4-7,13,19H,3,8H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-ethylethanamine?
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-ethylethanamine has a molecular weight of 332.27 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 102763897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).