2-(2,3-dihydro-1-benzothiophen-6-yloxy)ethanamine

C10H13NOS — CID 84666469

IUPAC2-(2,3-dihydro-1-benzothiophen-6-yloxy)ethanamine
SMILESNCCOc1ccc2c(c1)SCC2
InChIInChI=1S/C10H13NOS/c11-4-5-12-9-2-1-8-3-6-13-10(8)7-9/h1-2,7H,3-6,11H2
InChIKeyRUFBMTFIILMZGB-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.67
Rot. Bonds3

About 2-(2,3-dihydro-1-benzothiophen-6-yloxy)ethanamine

2-(2,3-dihydro-1-benzothiophen-6-yloxy)ethanamine (PubChem CID 84666469) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-6-yloxy)ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-6-yloxy)ethanamine
PubChem CID84666469
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name2-(2,3-dihydro-1-benzothiophen-6-yloxy)ethanamine
SMILESNCCOc1ccc2c(c1)SCC2
InChIInChI=1S/C10H13NOS/c11-4-5-12-9-2-1-8-3-6-13-10(8)7-9/h1-2,7H,3-6,11H2
InChIKeyRUFBMTFIILMZGB-UHFFFAOYSA-N
XLogP1.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-6-yloxy)ethanamine?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-6-yloxy)ethanamine (CID 84666469) is 2-(2,3-dihydro-1-benzothiophen-6-yloxy)ethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-6-yloxy)ethanamine?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-6-yloxy)ethanamine is NCCOc1ccc2c(c1)SCC2.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-6-yloxy)ethanamine?
The InChIKey is RUFBMTFIILMZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c11-4-5-12-9-2-1-8-3-6-13-10(8)7-9/h1-2,7H,3-6,11H2.
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-6-yloxy)ethanamine?
2-(2,3-dihydro-1-benzothiophen-6-yloxy)ethanamine has a molecular weight of 195.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-6-yloxy)ethanamine is sourced from PubChem (CID 84666469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).