1-(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)ethanamine

C11H15NS — CID 117198270

IUPAC1-(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
SMILESCc1cccc2c1CC(C(C)N)S2
InChIInChI=1S/C11H15NS/c1-7-4-3-5-10-9(7)6-11(13-10)8(2)12/h3-5,8,11H,6,12H2,1-2H3
InChIKeyDZNLLSXKCYIIGW-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.36
Rot. Bonds1

About 1-(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)ethanamine

1-(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)ethanamine (PubChem CID 117198270) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 1-(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
PubChem CID117198270
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name1-(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
SMILESCc1cccc2c1CC(C(C)N)S2
InChIInChI=1S/C11H15NS/c1-7-4-3-5-10-9(7)6-11(13-10)8(2)12/h3-5,8,11H,6,12H2,1-2H3
InChIKeyDZNLLSXKCYIIGW-UHFFFAOYSA-N
XLogP2.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of 1-(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)ethanamine (CID 117198270) is 1-(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for 1-(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)ethanamine is Cc1cccc2c1CC(C(C)N)S2.
What is the InChIKey of 1-(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
The InChIKey is DZNLLSXKCYIIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-7-4-3-5-10-9(7)6-11(13-10)8(2)12/h3-5,8,11H,6,12H2,1-2H3.
What are the key properties of 1-(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
1-(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)ethanamine has a molecular weight of 193.31 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 117198270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).