3-ethyl-6-methoxy-1-benzothiophen-5-amine

C11H13NOS — CID 130788559

IUPAC3-ethyl-6-methoxy-1-benzothiophen-5-amine
SMILESCCc1csc2cc(OC)c(N)cc12
InChIInChI=1S/C11H13NOS/c1-3-7-6-14-11-5-10(13-2)9(12)4-8(7)11/h4-6H,3,12H2,1-2H3
InChIKeyAYIIQGLAVJHQMA-UHFFFAOYSA-N
MW207.30 g/mol
LogP3.05
Rot. Bonds2

About 3-ethyl-6-methoxy-1-benzothiophen-5-amine

3-ethyl-6-methoxy-1-benzothiophen-5-amine (PubChem CID 130788559) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 3-ethyl-6-methoxy-1-benzothiophen-5-amine.

Molecular Properties

Compound Name3-ethyl-6-methoxy-1-benzothiophen-5-amine
PubChem CID130788559
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name3-ethyl-6-methoxy-1-benzothiophen-5-amine
SMILESCCc1csc2cc(OC)c(N)cc12
InChIInChI=1S/C11H13NOS/c1-3-7-6-14-11-5-10(13-2)9(12)4-8(7)11/h4-6H,3,12H2,1-2H3
InChIKeyAYIIQGLAVJHQMA-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

5-amino-6-methoxy-1-benzothiophene-3-carbaldehyde
CID 130840079
5,6-bis(3-chloropropoxy)-3-ethyl-1-benzothiophene
CID 68659188
3-ethyl-6-methyl-1-benzothiophene
CID 142026591
3-ethyl-5-iodo-1-benzothiophene
CID 20678685
5-bromo-3-ethyl-1-benzothiophene
CID 11708535
5-(chloromethyl)-3-fluoro-6-methoxy-1-benzothiophene
CID 130840050
6-(bromomethyl)-3-ethyl-1-benzothiophen-4-amine
CID 131138124
6-bromo-3-ethyl-1-benzothiophene-5-carbonitrile
CID 131119229
3-ethyl-5-methylsulfanyl-1-benzothiophene
CID 146510134
ethyl 2-(5-ethyl-1-benzothiophen-3-yl)acetate
CID 15816638
2-[3-(2,5-dimethoxyphenyl)-4-ethylthiophen-2-yl]ethanamine
CID 137354599
7-ethyl-4-methoxy-1-benzothiophen-5-amine
CID 130788703

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methoxy-1-benzothiophen-5-amine?
The IUPAC name of 3-ethyl-6-methoxy-1-benzothiophen-5-amine (CID 130788559) is 3-ethyl-6-methoxy-1-benzothiophen-5-amine.
What is the SMILES notation for 3-ethyl-6-methoxy-1-benzothiophen-5-amine?
The canonical SMILES for 3-ethyl-6-methoxy-1-benzothiophen-5-amine is CCc1csc2cc(OC)c(N)cc12.
What is the InChIKey of 3-ethyl-6-methoxy-1-benzothiophen-5-amine?
The InChIKey is AYIIQGLAVJHQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-3-7-6-14-11-5-10(13-2)9(12)4-8(7)11/h4-6H,3,12H2,1-2H3.
What are the key properties of 3-ethyl-6-methoxy-1-benzothiophen-5-amine?
3-ethyl-6-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 3-ethyl-6-methoxy-1-benzothiophen-5-amine is sourced from PubChem (CID 130788559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).