2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine

C15H17Cl2NOS — CID 115844898

IUPAC2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Cl)ccc1OC)c1ccc(Cl)s1
InChIInChI=1S/C15H17Cl2NOS/c1-3-18-12(14-6-7-15(17)20-14)9-10-8-11(16)4-5-13(10)19-2/h4-8,12,18H,3,9H2,1-2H3
InChIKeyZOTAQFHZPRSOBX-UHFFFAOYSA-N
MW330.28 g/mol
LogP4.96
Rot. Bonds6

About 2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine

2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine (PubChem CID 115844898) has the molecular formula C15H17Cl2NOS and a molecular weight of 330.28 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
PubChem CID115844898
Molecular FormulaC15H17Cl2NOS
Molecular Weight330.28 g/mol
Exact Mass329.04
IUPAC Name2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Cl)ccc1OC)c1ccc(Cl)s1
InChIInChI=1S/C15H17Cl2NOS/c1-3-18-12(14-6-7-15(17)20-14)9-10-8-11(16)4-5-13(10)19-2/h4-8,12,18H,3,9H2,1-2H3
InChIKeyZOTAQFHZPRSOBX-UHFFFAOYSA-N
XLogP4.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-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-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115844980
2-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 63414164
2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)ethanol
CID 65150275
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115844893
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 102923380
2-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 103405686
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105137382
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 62601354
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530726
3-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 62916009
N-[(5-chlorothiophen-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81283886
1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 105137424

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine (CID 115844898) is 2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine is CCNC(Cc1cc(Cl)ccc1OC)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine?
The InChIKey is ZOTAQFHZPRSOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NOS/c1-3-18-12(14-6-7-15(17)20-14)9-10-8-11(16)4-5-13(10)19-2/h4-8,12,18H,3,9H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine?
2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine has a molecular weight of 330.28 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 115844898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).