2-(5-chloro-2-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine

C17H18ClNOS — CID 105137284

IUPAC2-(5-chloro-2-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
SMILESCOc1ccc(Cl)cc1CC(N)C1Cc2ccccc2S1
InChIInChI=1S/C17H18ClNOS/c1-20-15-7-6-13(18)8-12(15)9-14(19)17-10-11-4-2-3-5-16(11)21-17/h2-8,14,17H,9-10,19H2,1H3
InChIKeyFYJRZEOATDXFOG-UHFFFAOYSA-N
MW319.86 g/mol
LogP3.94
Rot. Bonds4

About 2-(5-chloro-2-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine

2-(5-chloro-2-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine (PubChem CID 105137284) has the molecular formula C17H18ClNOS and a molecular weight of 319.86 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
PubChem CID105137284
Molecular FormulaC17H18ClNOS
Molecular Weight319.86 g/mol
Exact Mass319.08
IUPAC Name2-(5-chloro-2-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
SMILESCOc1ccc(Cl)cc1CC(N)C1Cc2ccccc2S1
InChIInChI=1S/C17H18ClNOS/c1-20-15-7-6-13(18)8-12(15)9-14(19)17-10-11-4-2-3-5-16(11)21-17/h2-8,14,17H,9-10,19H2,1H3
InChIKeyFYJRZEOATDXFOG-UHFFFAOYSA-N
XLogP3.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 105121936
2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 105137669
2,3-dihydro-1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanamine
CID 105143996
1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)propan-2-amine
CID 62605724
2-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 105111246
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 105160076
1-(2,3-dihydro-1H-inden-2-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 65409528
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 62602017
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 105152342
2-(5-chloro-2-methoxyphenyl)-1-(4-propylcyclohexyl)ethanamine
CID 65423175
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105169029
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(furan-2-yl)ethanamine
CID 105177243

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine (CID 105137284) is 2-(5-chloro-2-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine is COc1ccc(Cl)cc1CC(N)C1Cc2ccccc2S1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
The InChIKey is FYJRZEOATDXFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNOS/c1-20-15-7-6-13(18)8-12(15)9-14(19)17-10-11-4-2-3-5-16(11)21-17/h2-8,14,17H,9-10,19H2,1H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
2-(5-chloro-2-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine has a molecular weight of 319.86 g/mol, XLogP of 3.94, 4 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-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 105137284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).