7-ethyl-4-methoxy-1-benzothiophen-5-amine

C11H13NOS — CID 130788703

IUPAC7-ethyl-4-methoxy-1-benzothiophen-5-amine
SMILESCCc1cc(N)c(OC)c2ccsc12
InChIInChI=1S/C11H13NOS/c1-3-7-6-9(12)10(13-2)8-4-5-14-11(7)8/h4-6H,3,12H2,1-2H3
InChIKeyUIBCQISQJXJYKH-UHFFFAOYSA-N
MW207.30 g/mol
LogP3.05
Rot. Bonds2

About 7-ethyl-4-methoxy-1-benzothiophen-5-amine

7-ethyl-4-methoxy-1-benzothiophen-5-amine (PubChem CID 130788703) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 7-ethyl-4-methoxy-1-benzothiophen-5-amine.

Molecular Properties

Compound Name7-ethyl-4-methoxy-1-benzothiophen-5-amine
PubChem CID130788703
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name7-ethyl-4-methoxy-1-benzothiophen-5-amine
SMILESCCc1cc(N)c(OC)c2ccsc12
InChIInChI=1S/C11H13NOS/c1-3-7-6-9(12)10(13-2)8-4-5-14-11(7)8/h4-6H,3,12H2,1-2H3
InChIKeyUIBCQISQJXJYKH-UHFFFAOYSA-N
XLogP3.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-5-ethyl-4-methoxy-1-benzothiophene
CID 130971610
7-bromo-6-ethyl-1-benzothiophen-4-amine
CID 131091615
5-chloro-4-methoxy-1-benzothiophen-7-amine
CID 130823667
4-iodo-7-methoxy-1-benzothiophen-6-amine
CID 130788859
5-chloro-4,7-diethyl-1-benzothiophene
CID 131059958
7-(chloromethyl)-5-iodo-4-methoxy-1-benzothiophene
CID 131122640
4-chloro-7-methoxy-1-benzothiophen-5-amine
CID 131060040
4,6-diiodo-7-methoxy-1-benzothiophene
CID 130926208
7-ethyl-4-methyl-1-benzothiophene-5-carbaldehyde
CID 131196397
7-bromo-6-ethoxy-1-benzothiophen-4-amine
CID 131031142
4-amino-5-ethyl-1-benzothiophene-7-carbaldehyde
CID 131030928
(7-fluoro-4-methoxy-1-benzothiophen-5-yl)methanol
CID 131000571

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-methoxy-1-benzothiophen-5-amine?
The IUPAC name of 7-ethyl-4-methoxy-1-benzothiophen-5-amine (CID 130788703) is 7-ethyl-4-methoxy-1-benzothiophen-5-amine.
What is the SMILES notation for 7-ethyl-4-methoxy-1-benzothiophen-5-amine?
The canonical SMILES for 7-ethyl-4-methoxy-1-benzothiophen-5-amine is CCc1cc(N)c(OC)c2ccsc12.
What is the InChIKey of 7-ethyl-4-methoxy-1-benzothiophen-5-amine?
The InChIKey is UIBCQISQJXJYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-3-7-6-9(12)10(13-2)8-4-5-14-11(7)8/h4-6H,3,12H2,1-2H3.
What are the key properties of 7-ethyl-4-methoxy-1-benzothiophen-5-amine?
7-ethyl-4-methoxy-1-benzothiophen-5-amine has a molecular weight of 207.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-methoxy-1-benzothiophen-5-amine is sourced from PubChem (CID 130788703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).