2-(2-methyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine

C11H15NS — CID 83907645

IUPAC2-(2-methyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
SMILESCC1Sc2ccccc2C1CCN
InChIInChI=1S/C11H15NS/c1-8-9(6-7-12)10-4-2-3-5-11(10)13-8/h2-5,8-9H,6-7,12H2,1H3
InChIKeyJRQFLLDEFPUTIX-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.61
Rot. Bonds2

About 2-(2-methyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine

2-(2-methyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine (PubChem CID 83907645) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 2-(2-methyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
PubChem CID83907645
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name2-(2-methyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
SMILESCC1Sc2ccccc2C1CCN
InChIInChI=1S/C11H15NS/c1-8-9(6-7-12)10-4-2-3-5-11(10)13-8/h2-5,8-9H,6-7,12H2,1H3
InChIKeyJRQFLLDEFPUTIX-UHFFFAOYSA-N
XLogP2.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
The IUPAC name of 2-(2-methyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine (CID 83907645) is 2-(2-methyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(2-methyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
The canonical SMILES for 2-(2-methyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine is CC1Sc2ccccc2C1CCN.
What is the InChIKey of 2-(2-methyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
The InChIKey is JRQFLLDEFPUTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-8-9(6-7-12)10-4-2-3-5-11(10)13-8/h2-5,8-9H,6-7,12H2,1H3.
What are the key properties of 2-(2-methyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
2-(2-methyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine has a molecular weight of 193.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine is sourced from PubChem (CID 83907645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).