2-(6-methyl-1-benzothiophen-5-yl)ethanamine

C11H13NS — CID 82374408

IUPAC2-(6-methyl-1-benzothiophen-5-yl)ethanamine
SMILESCc1cc2sccc2cc1CCN
InChIInChI=1S/C11H13NS/c1-8-6-11-10(3-5-13-11)7-9(8)2-4-12/h3,5-7H,2,4,12H2,1H3
InChIKeyIASJRFZLRIGKKI-UHFFFAOYSA-N
MW191.30 g/mol
LogP2.71
Rot. Bonds2

About 2-(6-methyl-1-benzothiophen-5-yl)ethanamine

2-(6-methyl-1-benzothiophen-5-yl)ethanamine (PubChem CID 82374408) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-(6-methyl-1-benzothiophen-5-yl)ethanamine.

Molecular Properties

Compound Name2-(6-methyl-1-benzothiophen-5-yl)ethanamine
PubChem CID82374408
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name2-(6-methyl-1-benzothiophen-5-yl)ethanamine
SMILESCc1cc2sccc2cc1CCN
InChIInChI=1S/C11H13NS/c1-8-6-11-10(3-5-13-11)7-9(8)2-4-12/h3,5-7H,2,4,12H2,1H3
InChIKeyIASJRFZLRIGKKI-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-(6-methyl-1-benzothiophen-5-yl)ethanamine?
The IUPAC name of 2-(6-methyl-1-benzothiophen-5-yl)ethanamine (CID 82374408) is 2-(6-methyl-1-benzothiophen-5-yl)ethanamine.
What is the SMILES notation for 2-(6-methyl-1-benzothiophen-5-yl)ethanamine?
The canonical SMILES for 2-(6-methyl-1-benzothiophen-5-yl)ethanamine is Cc1cc2sccc2cc1CCN.
What is the InChIKey of 2-(6-methyl-1-benzothiophen-5-yl)ethanamine?
The InChIKey is IASJRFZLRIGKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-8-6-11-10(3-5-13-11)7-9(8)2-4-12/h3,5-7H,2,4,12H2,1H3.
What are the key properties of 2-(6-methyl-1-benzothiophen-5-yl)ethanamine?
2-(6-methyl-1-benzothiophen-5-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-(6-methyl-1-benzothiophen-5-yl)ethanamine is sourced from PubChem (CID 82374408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).