3-ethyl-2-methoxy-1-benzothiophen-4-amine

C11H13NOS — CID 130788556

IUPAC3-ethyl-2-methoxy-1-benzothiophen-4-amine
SMILESCCc1c(OC)sc2cccc(N)c12
InChIInChI=1S/C11H13NOS/c1-3-7-10-8(12)5-4-6-9(10)14-11(7)13-2/h4-6H,3,12H2,1-2H3
InChIKeyDVQWTUCPNNDETC-UHFFFAOYSA-N
MW207.30 g/mol
LogP3.05
Rot. Bonds2

About 3-ethyl-2-methoxy-1-benzothiophen-4-amine

3-ethyl-2-methoxy-1-benzothiophen-4-amine (PubChem CID 130788556) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 3-ethyl-2-methoxy-1-benzothiophen-4-amine.

Molecular Properties

Compound Name3-ethyl-2-methoxy-1-benzothiophen-4-amine
PubChem CID130788556
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name3-ethyl-2-methoxy-1-benzothiophen-4-amine
SMILESCCc1c(OC)sc2cccc(N)c12
InChIInChI=1S/C11H13NOS/c1-3-7-10-8(12)5-4-6-9(10)14-11(7)13-2/h4-6H,3,12H2,1-2H3
InChIKeyDVQWTUCPNNDETC-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'}

Analyze 3-ethyl-2-methoxy-1-benzothiophen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methoxy-1-benzothiophen-4-amine?
The IUPAC name of 3-ethyl-2-methoxy-1-benzothiophen-4-amine (CID 130788556) is 3-ethyl-2-methoxy-1-benzothiophen-4-amine.
What is the SMILES notation for 3-ethyl-2-methoxy-1-benzothiophen-4-amine?
The canonical SMILES for 3-ethyl-2-methoxy-1-benzothiophen-4-amine is CCc1c(OC)sc2cccc(N)c12.
What is the InChIKey of 3-ethyl-2-methoxy-1-benzothiophen-4-amine?
The InChIKey is DVQWTUCPNNDETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-3-7-10-8(12)5-4-6-9(10)14-11(7)13-2/h4-6H,3,12H2,1-2H3.
What are the key properties of 3-ethyl-2-methoxy-1-benzothiophen-4-amine?
3-ethyl-2-methoxy-1-benzothiophen-4-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 3-ethyl-2-methoxy-1-benzothiophen-4-amine is sourced from PubChem (CID 130788556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).