2-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)ethanamine

C11H15NS — CID 82401607

IUPAC2-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)ethanamine
SMILESCC1Cc2cc(CCN)ccc2S1
InChIInChI=1S/C11H15NS/c1-8-6-10-7-9(4-5-12)2-3-11(10)13-8/h2-3,7-8H,4-6,12H2,1H3
InChIKeyRNGFHPWQWYCBQO-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.22
Rot. Bonds2

About 2-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)ethanamine

2-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)ethanamine (PubChem CID 82401607) 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-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)ethanamine
PubChem CID82401607
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name2-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)ethanamine
SMILESCC1Cc2cc(CCN)ccc2S1
InChIInChI=1S/C11H15NS/c1-8-6-10-7-9(4-5-12)2-3-11(10)13-8/h2-3,7-8H,4-6,12H2,1H3
InChIKeyRNGFHPWQWYCBQO-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
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-5-yl)ethanamine?
The IUPAC name of 2-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)ethanamine (CID 82401607) is 2-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)ethanamine.
What is the SMILES notation for 2-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)ethanamine?
The canonical SMILES for 2-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)ethanamine is CC1Cc2cc(CCN)ccc2S1.
What is the InChIKey of 2-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)ethanamine?
The InChIKey is RNGFHPWQWYCBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-8-6-10-7-9(4-5-12)2-3-11(10)13-8/h2-3,7-8H,4-6,12H2,1H3.
What are the key properties of 2-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)ethanamine?
2-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)ethanamine has a molecular weight of 193.31 g/mol, XLogP of 2.22, 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-5-yl)ethanamine is sourced from PubChem (CID 82401607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).