2-(7-methyl-1-benzothiophen-6-yl)ethanamine

C11H13NS — CID 96590495

IUPAC2-(7-methyl-1-benzothiophen-6-yl)ethanamine
SMILESCc1c(CCN)ccc2ccsc12
InChIInChI=1S/C11H13NS/c1-8-9(4-6-12)2-3-10-5-7-13-11(8)10/h2-3,5,7H,4,6,12H2,1H3
InChIKeyYZBIDQXQYSHCNU-UHFFFAOYSA-N
MW191.30 g/mol
LogP2.71
Rot. Bonds2

About 2-(7-methyl-1-benzothiophen-6-yl)ethanamine

2-(7-methyl-1-benzothiophen-6-yl)ethanamine (PubChem CID 96590495) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-(7-methyl-1-benzothiophen-6-yl)ethanamine.

Molecular Properties

Compound Name2-(7-methyl-1-benzothiophen-6-yl)ethanamine
PubChem CID96590495
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name2-(7-methyl-1-benzothiophen-6-yl)ethanamine
SMILESCc1c(CCN)ccc2ccsc12
InChIInChI=1S/C11H13NS/c1-8-9(4-6-12)2-3-10-5-7-13-11(8)10/h2-3,5,7H,4,6,12H2,1H3
InChIKeyYZBIDQXQYSHCNU-UHFFFAOYSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-1-benzothiophen-6-yl)ethanamine?
The IUPAC name of 2-(7-methyl-1-benzothiophen-6-yl)ethanamine (CID 96590495) is 2-(7-methyl-1-benzothiophen-6-yl)ethanamine.
What is the SMILES notation for 2-(7-methyl-1-benzothiophen-6-yl)ethanamine?
The canonical SMILES for 2-(7-methyl-1-benzothiophen-6-yl)ethanamine is Cc1c(CCN)ccc2ccsc12.
What is the InChIKey of 2-(7-methyl-1-benzothiophen-6-yl)ethanamine?
The InChIKey is YZBIDQXQYSHCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-8-9(4-6-12)2-3-10-5-7-13-11(8)10/h2-3,5,7H,4,6,12H2,1H3.
What are the key properties of 2-(7-methyl-1-benzothiophen-6-yl)ethanamine?
2-(7-methyl-1-benzothiophen-6-yl)ethanamine has a molecular weight of 191.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-1-benzothiophen-6-yl)ethanamine is sourced from PubChem (CID 96590495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).