2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-5-amine

C11H15NS — CID 18740924

IUPAC2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-5-amine
SMILESCCC1Cc2cc(NC)ccc2S1
InChIInChI=1S/C11H15NS/c1-3-10-7-8-6-9(12-2)4-5-11(8)13-10/h4-6,10,12H,3,7H2,1-2H3
InChIKeyCOLCZABSODEHTC-UHFFFAOYSA-N
MW193.31 g/mol
LogP3.16
Rot. Bonds2

About 2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-5-amine

2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-5-amine (PubChem CID 18740924) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-5-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-5-amine
PubChem CID18740924
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-5-amine
SMILESCCC1Cc2cc(NC)ccc2S1
InChIInChI=1S/C11H15NS/c1-3-10-7-8-6-9(12-2)4-5-11(8)13-10/h4-6,10,12H,3,7H2,1-2H3
InChIKeyCOLCZABSODEHTC-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-5-amine?
The IUPAC name of 2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-5-amine (CID 18740924) is 2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-5-amine.
What is the SMILES notation for 2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-5-amine?
The canonical SMILES for 2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-5-amine is CCC1Cc2cc(NC)ccc2S1.
What is the InChIKey of 2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-5-amine?
The InChIKey is COLCZABSODEHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-3-10-7-8-6-9(12-2)4-5-11(8)13-10/h4-6,10,12H,3,7H2,1-2H3.
What are the key properties of 2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-5-amine?
2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-5-amine has a molecular weight of 193.31 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-5-amine is sourced from PubChem (CID 18740924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).