1-(1-benzothiophen-7-yl)-2-(2-methoxyethoxy)ethanamine

C13H17NO2S — CID 114032936

IUPAC1-(1-benzothiophen-7-yl)-2-(2-methoxyethoxy)ethanamine
SMILESCOCCOCC(N)c1cccc2ccsc12
InChIInChI=1S/C13H17NO2S/c1-15-6-7-16-9-12(14)11-4-2-3-10-5-8-17-13(10)11/h2-5,8,12H,6-7,9,14H2,1H3
InChIKeyZKBZHVNJTSVTIQ-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.56
Rot. Bonds6

About 1-(1-benzothiophen-7-yl)-2-(2-methoxyethoxy)ethanamine

1-(1-benzothiophen-7-yl)-2-(2-methoxyethoxy)ethanamine (PubChem CID 114032936) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2-(2-methoxyethoxy)ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2-(2-methoxyethoxy)ethanamine
PubChem CID114032936
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name1-(1-benzothiophen-7-yl)-2-(2-methoxyethoxy)ethanamine
SMILESCOCCOCC(N)c1cccc2ccsc12
InChIInChI=1S/C13H17NO2S/c1-15-6-7-16-9-12(14)11-4-2-3-10-5-8-17-13(10)11/h2-5,8,12H,6-7,9,14H2,1H3
InChIKeyZKBZHVNJTSVTIQ-UHFFFAOYSA-N
XLogP2.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(1-benzothiophen-7-yl)-2-propoxyethyl]hydrazine
CID 105209936
2-(2-methoxyethoxy)-1-(2-methoxyphenyl)ethanamine
CID 43184458
1-(1-benzothiophen-7-yl)-2-methylbutan-1-amine
CID 81154241
1-(1-benzothiophen-7-yl)-2-(2-bromophenyl)ethanamine
CID 81153697
methyl 2-(1-benzothiophen-7-yl)butanoate
CID 81147486
2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
1-(1-benzothiophen-7-yl)-2,3-dimethylbutan-1-amine
CID 105022064
2-[3-(2-methoxyethoxy)propoxy]-1-(2-methoxyphenyl)ethanamine
CID 103401868
1-benzothiophen-7-yl-(4-bromophenyl)methanamine
CID 81153674
[1-(1-benzothiophen-7-yl)-2-methoxypropyl]hydrazine
CID 105246859
1-benzothiophen-7-yl-(3-propoxyphenyl)methanamine
CID 105021889
1-benzothiophen-7-yl-(2,4-dimethoxyphenyl)methanamine
CID 105021986

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2-(2-methoxyethoxy)ethanamine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2-(2-methoxyethoxy)ethanamine (CID 114032936) is 1-(1-benzothiophen-7-yl)-2-(2-methoxyethoxy)ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2-(2-methoxyethoxy)ethanamine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2-(2-methoxyethoxy)ethanamine is COCCOCC(N)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2-(2-methoxyethoxy)ethanamine?
The InChIKey is ZKBZHVNJTSVTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-15-6-7-16-9-12(14)11-4-2-3-10-5-8-17-13(10)11/h2-5,8,12H,6-7,9,14H2,1H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-2-(2-methoxyethoxy)ethanamine?
1-(1-benzothiophen-7-yl)-2-(2-methoxyethoxy)ethanamine has a molecular weight of 251.35 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-2-(2-methoxyethoxy)ethanamine is sourced from PubChem (CID 114032936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).