2-(3-methyl-2,3-dihydro-1-benzothiophen-7-yl)ethanamine

C11H15NS — CID 117204133

IUPAC2-(3-methyl-2,3-dihydro-1-benzothiophen-7-yl)ethanamine
SMILESCC1CSc2c(CCN)cccc21
InChIInChI=1S/C11H15NS/c1-8-7-13-11-9(5-6-12)3-2-4-10(8)11/h2-4,8H,5-7,12H2,1H3
InChIKeyVAELFAAWFXEEQO-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.40
Rot. Bonds2

About 2-(3-methyl-2,3-dihydro-1-benzothiophen-7-yl)ethanamine

2-(3-methyl-2,3-dihydro-1-benzothiophen-7-yl)ethanamine (PubChem CID 117204133) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 2-(3-methyl-2,3-dihydro-1-benzothiophen-7-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methyl-2,3-dihydro-1-benzothiophen-7-yl)ethanamine
PubChem CID117204133
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name2-(3-methyl-2,3-dihydro-1-benzothiophen-7-yl)ethanamine
SMILESCC1CSc2c(CCN)cccc21
InChIInChI=1S/C11H15NS/c1-8-7-13-11-9(5-6-12)3-2-4-10(8)11/h2-4,8H,5-7,12H2,1H3
InChIKeyVAELFAAWFXEEQO-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,3-dihydro-1-benzothiophen-7-yl)ethanamine?
The IUPAC name of 2-(3-methyl-2,3-dihydro-1-benzothiophen-7-yl)ethanamine (CID 117204133) is 2-(3-methyl-2,3-dihydro-1-benzothiophen-7-yl)ethanamine.
What is the SMILES notation for 2-(3-methyl-2,3-dihydro-1-benzothiophen-7-yl)ethanamine?
The canonical SMILES for 2-(3-methyl-2,3-dihydro-1-benzothiophen-7-yl)ethanamine is CC1CSc2c(CCN)cccc21.
What is the InChIKey of 2-(3-methyl-2,3-dihydro-1-benzothiophen-7-yl)ethanamine?
The InChIKey is VAELFAAWFXEEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-8-7-13-11-9(5-6-12)3-2-4-10(8)11/h2-4,8H,5-7,12H2,1H3.
What are the key properties of 2-(3-methyl-2,3-dihydro-1-benzothiophen-7-yl)ethanamine?
2-(3-methyl-2,3-dihydro-1-benzothiophen-7-yl)ethanamine has a molecular weight of 193.31 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,3-dihydro-1-benzothiophen-7-yl)ethanamine is sourced from PubChem (CID 117204133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).