1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine

C11H17NOS — CID 83985484

IUPAC1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
SMILESCOC1CCCc2sc(C(C)N)cc21
InChIInChI=1S/C11H17NOS/c1-7(12)11-6-8-9(13-2)4-3-5-10(8)14-11/h6-7,9H,3-5,12H2,1-2H3
InChIKeyYEZGFYPURKHVMZ-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.79
Rot. Bonds2

About 1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine

1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine (PubChem CID 83985484) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
PubChem CID83985484
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
SMILESCOC1CCCc2sc(C(C)N)cc21
InChIInChI=1S/C11H17NOS/c1-7(12)11-6-8-9(13-2)4-3-5-10(8)14-11/h6-7,9H,3-5,12H2,1-2H3
InChIKeyYEZGFYPURKHVMZ-UHFFFAOYSA-N
XLogP2.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of 1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine (CID 83985484) is 1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for 1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine is COC1CCCc2sc(C(C)N)cc21.
What is the InChIKey of 1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
The InChIKey is YEZGFYPURKHVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-7(12)11-6-8-9(13-2)4-3-5-10(8)14-11/h6-7,9H,3-5,12H2,1-2H3.
What are the key properties of 1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine has a molecular weight of 211.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 83985484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).