1-(6,7-dimethoxy-1-benzothiophen-2-yl)ethanamine

C12H15NO2S — CID 54364581

IUPAC1-(6,7-dimethoxy-1-benzothiophen-2-yl)ethanamine
SMILESCOc1ccc2cc(C(C)N)sc2c1OC
InChIInChI=1S/C12H15NO2S/c1-7(13)10-6-8-4-5-9(14-2)11(15-3)12(8)16-10/h4-7H,13H2,1-3H3
InChIKeyUOWNEXUWWZLLPP-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.94
Rot. Bonds3

About 1-(6,7-dimethoxy-1-benzothiophen-2-yl)ethanamine

1-(6,7-dimethoxy-1-benzothiophen-2-yl)ethanamine (PubChem CID 54364581) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(6,7-dimethoxy-1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(6,7-dimethoxy-1-benzothiophen-2-yl)ethanamine
PubChem CID54364581
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name1-(6,7-dimethoxy-1-benzothiophen-2-yl)ethanamine
SMILESCOc1ccc2cc(C(C)N)sc2c1OC
InChIInChI=1S/C12H15NO2S/c1-7(13)10-6-8-4-5-9(14-2)11(15-3)12(8)16-10/h4-7H,13H2,1-3H3
InChIKeyUOWNEXUWWZLLPP-UHFFFAOYSA-N
XLogP2.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3,4-Dimethoxyphenyl)-1-benzothiophen-2-yl]methanediamine
CID 49867162
[2-(5,6-Dimethoxy-1-benzothiophen-2-yl)-2,2-difluoroethyl]hydrazine
CID 164708080
N-[2-(5,6-dimethoxy-1-benzothiophen-2-yl)-2,2-difluoroethyl]hydroxylamine
CID 164708081
[2-(3,4,5-Trimethoxyphenyl)-1-benzothiophen-3-yl]methanamine
CID 134865631
(2-Fluoro-4,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanamine
CID 55124874
(2-Fluoro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
CID 62865504
(5-Ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62866393
(2-Fluoro-4,5-dimethoxyphenyl)-thiophen-2-ylmethanamine
CID 62867619
(2-Fluoro-4,5-dimethoxyphenyl)-(5-methylthiophen-2-yl)methanamine
CID 62868124
(4,5-Dimethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 65238897
(3-Ethylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 79985147
(2-Fluoro-4,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 81126585

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxy-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of 1-(6,7-dimethoxy-1-benzothiophen-2-yl)ethanamine (CID 54364581) is 1-(6,7-dimethoxy-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(6,7-dimethoxy-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for 1-(6,7-dimethoxy-1-benzothiophen-2-yl)ethanamine is COc1ccc2cc(C(C)N)sc2c1OC.
What is the InChIKey of 1-(6,7-dimethoxy-1-benzothiophen-2-yl)ethanamine?
The InChIKey is UOWNEXUWWZLLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-7(13)10-6-8-4-5-9(14-2)11(15-3)12(8)16-10/h4-7H,13H2,1-3H3.
What are the key properties of 1-(6,7-dimethoxy-1-benzothiophen-2-yl)ethanamine?
1-(6,7-dimethoxy-1-benzothiophen-2-yl)ethanamine has a molecular weight of 237.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxy-1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 54364581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).