2,6-diethyl-1-benzothiophen-5-amine

C12H15NS — CID 130914459

IUPAC2,6-diethyl-1-benzothiophen-5-amine
SMILESCCc1cc2cc(N)c(CC)cc2s1
InChIInChI=1S/C12H15NS/c1-3-8-7-12-9(6-11(8)13)5-10(4-2)14-12/h5-7H,3-4,13H2,1-2H3
InChIKeyWHSOHYDKMCLYOS-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.61
Rot. Bonds2

About 2,6-diethyl-1-benzothiophen-5-amine

2,6-diethyl-1-benzothiophen-5-amine (PubChem CID 130914459) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 2,6-diethyl-1-benzothiophen-5-amine.

Molecular Properties

Compound Name2,6-diethyl-1-benzothiophen-5-amine
PubChem CID130914459
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name2,6-diethyl-1-benzothiophen-5-amine
SMILESCCc1cc2cc(N)c(CC)cc2s1
InChIInChI=1S/C12H15NS/c1-3-8-7-12-9(6-11(8)13)5-10(4-2)14-12/h5-7H,3-4,13H2,1-2H3
InChIKeyWHSOHYDKMCLYOS-UHFFFAOYSA-N
XLogP3.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-ethyl-1-benzothiophen-5-amine
CID 130805171
6-(chloromethyl)-1-benzothiophene-2,5-diamine
CID 130788528
6-(chloromethyl)-5-ethyl-1-benzothiophen-2-amine
CID 130866214
5-(bromomethyl)-6-chloro-2-ethyl-1-benzothiophene
CID 131014328
2-(chloromethyl)-6-ethyl-1-benzothiophen-5-ol
CID 130969973
(2-ethyl-1-benzothiophen-6-yl)methanamine
CID 84663632
2-ethyl-5-iodo-1-benzothiophene-6-thiol
CID 130961893
2-(2-ethyl-1-benzothiophen-6-yl)acetic acid
CID 84685867
5-ethyl-2-methylthiophen-3-amine
CID 123752198
2-ethylthieno[3,2-c]pyridine
CID 70413721
5,6-diethyl-1-benzothiophen-2-ol
CID 131091620
2-(5-amino-2-methyl-1-benzothiophen-6-yl)acetonitrile
CID 131034378

Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-1-benzothiophen-5-amine?
The IUPAC name of 2,6-diethyl-1-benzothiophen-5-amine (CID 130914459) is 2,6-diethyl-1-benzothiophen-5-amine.
What is the SMILES notation for 2,6-diethyl-1-benzothiophen-5-amine?
The canonical SMILES for 2,6-diethyl-1-benzothiophen-5-amine is CCc1cc2cc(N)c(CC)cc2s1.
What is the InChIKey of 2,6-diethyl-1-benzothiophen-5-amine?
The InChIKey is WHSOHYDKMCLYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-3-8-7-12-9(6-11(8)13)5-10(4-2)14-12/h5-7H,3-4,13H2,1-2H3.
What are the key properties of 2,6-diethyl-1-benzothiophen-5-amine?
2,6-diethyl-1-benzothiophen-5-amine has a molecular weight of 205.33 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-1-benzothiophen-5-amine is sourced from PubChem (CID 130914459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).