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

C10H11NOS — CID 82373142

IUPAC7-methoxy-5-methyl-1-benzothiophen-4-amine
SMILESCOc1cc(C)c(N)c2ccsc12
InChIInChI=1S/C10H11NOS/c1-6-5-8(12-2)10-7(9(6)11)3-4-13-10/h3-5H,11H2,1-2H3
InChIKeyMXVIZAOFFQGXSU-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.80
Rot. Bonds1

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

7-methoxy-5-methyl-1-benzothiophen-4-amine (PubChem CID 82373142) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 7-methoxy-5-methyl-1-benzothiophen-4-amine.

Molecular Properties

Compound Name7-methoxy-5-methyl-1-benzothiophen-4-amine
PubChem CID82373142
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name7-methoxy-5-methyl-1-benzothiophen-4-amine
SMILESCOc1cc(C)c(N)c2ccsc12
InChIInChI=1S/C10H11NOS/c1-6-5-8(12-2)10-7(9(6)11)3-4-13-10/h3-5H,11H2,1-2H3
InChIKeyMXVIZAOFFQGXSU-UHFFFAOYSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-methyl-1-benzothiophen-4-amine?
The IUPAC name of 7-methoxy-5-methyl-1-benzothiophen-4-amine (CID 82373142) is 7-methoxy-5-methyl-1-benzothiophen-4-amine.
What is the SMILES notation for 7-methoxy-5-methyl-1-benzothiophen-4-amine?
The canonical SMILES for 7-methoxy-5-methyl-1-benzothiophen-4-amine is COc1cc(C)c(N)c2ccsc12.
What is the InChIKey of 7-methoxy-5-methyl-1-benzothiophen-4-amine?
The InChIKey is MXVIZAOFFQGXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-6-5-8(12-2)10-7(9(6)11)3-4-13-10/h3-5H,11H2,1-2H3.
What are the key properties of 7-methoxy-5-methyl-1-benzothiophen-4-amine?
7-methoxy-5-methyl-1-benzothiophen-4-amine has a molecular weight of 193.27 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-methyl-1-benzothiophen-4-amine is sourced from PubChem (CID 82373142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).