2-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine

C16H19Cl2NOS — CID 103405686

IUPAC2-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Cl)ccc1OC)c1scc(C)c1Cl
InChIInChI=1S/C16H19Cl2NOS/c1-4-19-13(16-15(18)10(2)9-21-16)8-11-7-12(17)5-6-14(11)20-3/h5-7,9,13,19H,4,8H2,1-3H3
InChIKeyWMKHOFGNPFXSRL-UHFFFAOYSA-N
MW344.31 g/mol
LogP5.27
Rot. Bonds6

About 2-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine

2-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine (PubChem CID 103405686) has the molecular formula C16H19Cl2NOS and a molecular weight of 344.31 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
PubChem CID103405686
Molecular FormulaC16H19Cl2NOS
Molecular Weight344.31 g/mol
Exact Mass343.06
IUPAC Name2-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Cl)ccc1OC)c1scc(C)c1Cl
InChIInChI=1S/C16H19Cl2NOS/c1-4-19-13(16-15(18)10(2)9-21-16)8-11-7-12(17)5-6-14(11)20-3/h5-7,9,13,19H,4,8H2,1-3H3
InChIKeyWMKHOFGNPFXSRL-UHFFFAOYSA-N
XLogP5.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.31
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 103405432
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105137382
2-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 63414164
2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 115844898
2-(1-benzothiophen-3-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 103405423
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115844893
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115844980
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 102923380
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 62601354
N-[(3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 103401002
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530726
[2-(5-chloro-2-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine
CID 105297539

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine (CID 103405686) is 2-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine is CCNC(Cc1cc(Cl)ccc1OC)c1scc(C)c1Cl.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine?
The InChIKey is WMKHOFGNPFXSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NOS/c1-4-19-13(16-15(18)10(2)9-21-16)8-11-7-12(17)5-6-14(11)20-3/h5-7,9,13,19H,4,8H2,1-3H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine?
2-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine has a molecular weight of 344.31 g/mol, XLogP of 5.27, 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-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 103405686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).