1-(4-methyl-1-benzothiophen-3-yl)ethanamine

C11H13NS — CID 117119248

IUPAC1-(4-methyl-1-benzothiophen-3-yl)ethanamine
SMILESCc1cccc2scc(C(C)N)c12
InChIInChI=1S/C11H13NS/c1-7-4-3-5-10-11(7)9(6-13-10)8(2)12/h3-6,8H,12H2,1-2H3
InChIKeyOGAKTBLCKCMCID-UHFFFAOYSA-N
MW191.30 g/mol
LogP3.23
Rot. Bonds1

About 1-(4-methyl-1-benzothiophen-3-yl)ethanamine

1-(4-methyl-1-benzothiophen-3-yl)ethanamine (PubChem CID 117119248) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 1-(4-methyl-1-benzothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methyl-1-benzothiophen-3-yl)ethanamine
PubChem CID117119248
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name1-(4-methyl-1-benzothiophen-3-yl)ethanamine
SMILESCc1cccc2scc(C(C)N)c12
InChIInChI=1S/C11H13NS/c1-7-4-3-5-10-11(7)9(6-13-10)8(2)12/h3-6,8H,12H2,1-2H3
InChIKeyOGAKTBLCKCMCID-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1-benzothiophen-3-yl)ethanamine?
The IUPAC name of 1-(4-methyl-1-benzothiophen-3-yl)ethanamine (CID 117119248) is 1-(4-methyl-1-benzothiophen-3-yl)ethanamine.
What is the SMILES notation for 1-(4-methyl-1-benzothiophen-3-yl)ethanamine?
The canonical SMILES for 1-(4-methyl-1-benzothiophen-3-yl)ethanamine is Cc1cccc2scc(C(C)N)c12.
What is the InChIKey of 1-(4-methyl-1-benzothiophen-3-yl)ethanamine?
The InChIKey is OGAKTBLCKCMCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-7-4-3-5-10-11(7)9(6-13-10)8(2)12/h3-6,8H,12H2,1-2H3.
What are the key properties of 1-(4-methyl-1-benzothiophen-3-yl)ethanamine?
1-(4-methyl-1-benzothiophen-3-yl)ethanamine has a molecular weight of 191.30 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1-benzothiophen-3-yl)ethanamine is sourced from PubChem (CID 117119248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).