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

C17H18ClNS2 — CID 103405423

IUPAC2-(1-benzothiophen-3-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1csc2ccccc12)c1scc(C)c1Cl
InChIInChI=1S/C17H18ClNS2/c1-3-19-14(17-16(18)11(2)9-21-17)8-12-10-20-15-7-5-4-6-13(12)15/h4-7,9-10,14,19H,3,8H2,1-2H3
InChIKeyPSVRUPPKGJWSIA-UHFFFAOYSA-N
MW335.93 g/mol
LogP5.82
Rot. Bonds5

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

2-(1-benzothiophen-3-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine (PubChem CID 103405423) has the molecular formula C17H18ClNS2 and a molecular weight of 335.93 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
PubChem CID103405423
Molecular FormulaC17H18ClNS2
Molecular Weight335.93 g/mol
Exact Mass335.06
IUPAC Name2-(1-benzothiophen-3-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1csc2ccccc12)c1scc(C)c1Cl
InChIInChI=1S/C17H18ClNS2/c1-3-19-14(17-16(18)11(2)9-21-17)8-12-10-20-15-7-5-4-6-13(12)15/h4-7,9-10,14,19H,3,8H2,1-2H3
InChIKeyPSVRUPPKGJWSIA-UHFFFAOYSA-N
XLogP5.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.93
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-benzothiophen-3-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine with MolForge

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Related Compounds

2-(1-benzothiophen-3-yl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115823579
2-(1-benzothiophen-3-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790256
2-(1-benzothiophen-3-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115824043
1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 43492316
2-(1,3-benzothiazol-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 103402602
1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 103405432
2-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 103405686
2-(1-benzothiophen-3-yl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65360837
2-(1-benzothiophen-3-yl)-1-(4-chloro-3-methylphenyl)-N-methylethanamine
CID 115823976
1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 103406220
1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79197341
2-(1-benzothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylethanamine
CID 115823499

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine (CID 103405423) is 2-(1-benzothiophen-3-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine is CCNC(Cc1csc2ccccc12)c1scc(C)c1Cl.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine?
The InChIKey is PSVRUPPKGJWSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNS2/c1-3-19-14(17-16(18)11(2)9-21-17)8-12-10-20-15-7-5-4-6-13(12)15/h4-7,9-10,14,19H,3,8H2,1-2H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine?
2-(1-benzothiophen-3-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine has a molecular weight of 335.93 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 103405423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).