2-methoxy-1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine

C11H17NOS — CID 130927715

IUPAC2-methoxy-1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine
SMILESCOCC(N)c1csc2c1CCCC2
InChIInChI=1S/C11H17NOS/c1-13-6-10(12)9-7-14-11-5-3-2-4-8(9)11/h7,10H,2-6,12H2,1H3
InChIKeyRUFFOPQNYGUUFS-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.27
Rot. Bonds3

About 2-methoxy-1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine

2-methoxy-1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine (PubChem CID 130927715) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-methoxy-1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-methoxy-1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine
PubChem CID130927715
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-methoxy-1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine
SMILESCOCC(N)c1csc2c1CCCC2
InChIInChI=1S/C11H17NOS/c1-13-6-10(12)9-7-14-11-5-3-2-4-8(9)11/h7,10H,2-6,12H2,1H3
InChIKeyRUFFOPQNYGUUFS-UHFFFAOYSA-N
XLogP2.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine?
The IUPAC name of 2-methoxy-1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine (CID 130927715) is 2-methoxy-1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine.
What is the SMILES notation for 2-methoxy-1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine?
The canonical SMILES for 2-methoxy-1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine is COCC(N)c1csc2c1CCCC2.
What is the InChIKey of 2-methoxy-1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine?
The InChIKey is RUFFOPQNYGUUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-13-6-10(12)9-7-14-11-5-3-2-4-8(9)11/h7,10H,2-6,12H2,1H3.
What are the key properties of 2-methoxy-1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine?
2-methoxy-1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine has a molecular weight of 211.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine is sourced from PubChem (CID 130927715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).