7-bromo-6-ethoxy-1-benzothiophen-4-amine

C10H10BrNOS — CID 131031142

IUPAC7-bromo-6-ethoxy-1-benzothiophen-4-amine
SMILESCCOc1cc(N)c2ccsc2c1Br
InChIInChI=1S/C10H10BrNOS/c1-2-13-8-5-7(12)6-3-4-14-10(6)9(8)11/h3-5H,2,12H2,1H3
InChIKeyDEUXLVIDMRNFKN-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.64
Rot. Bonds2

About 7-bromo-6-ethoxy-1-benzothiophen-4-amine

7-bromo-6-ethoxy-1-benzothiophen-4-amine (PubChem CID 131031142) has the molecular formula C10H10BrNOS and a molecular weight of 272.17 g/mol. Its IUPAC name is 7-bromo-6-ethoxy-1-benzothiophen-4-amine.

Molecular Properties

Compound Name7-bromo-6-ethoxy-1-benzothiophen-4-amine
PubChem CID131031142
Molecular FormulaC10H10BrNOS
Molecular Weight272.17 g/mol
Exact Mass270.97
IUPAC Name7-bromo-6-ethoxy-1-benzothiophen-4-amine
SMILESCCOc1cc(N)c2ccsc2c1Br
InChIInChI=1S/C10H10BrNOS/c1-2-13-8-5-7(12)6-3-4-14-10(6)9(8)11/h3-5H,2,12H2,1H3
InChIKeyDEUXLVIDMRNFKN-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.64
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-bromo-6-ethyl-1-benzothiophen-4-amine
CID 131091615
4-bromo-6-ethoxy-7-methyl-1-benzothiophene
CID 130866038
7-ethoxy-6-methyl-1-benzothiophen-5-amine
CID 130898368
4-chloro-7-ethoxy-5-methyl-1-benzothiophene
CID 130941817
7-bromo-4,6-diethyl-1-benzothiophene
CID 130826571
4-chloro-7-ethoxy-1-benzothiophene-5-thiol
CID 131096748
5-bromo-7-ethoxy-1-benzothiophene-6-thiol
CID 131014234
7-ethyl-4-methoxy-1-benzothiophen-5-amine
CID 130788703
6-iodo-7-methyl-1-benzothiophen-4-amine
CID 130870594
2,6-dibromo-5-ethoxypyridin-3-amine
CID 26369890
4-iodo-7-methoxy-1-benzothiophen-5-amine
CID 130788772
4-chloro-7-methoxy-1-benzothiophen-5-amine
CID 131060040

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-ethoxy-1-benzothiophen-4-amine?
The IUPAC name of 7-bromo-6-ethoxy-1-benzothiophen-4-amine (CID 131031142) is 7-bromo-6-ethoxy-1-benzothiophen-4-amine.
What is the SMILES notation for 7-bromo-6-ethoxy-1-benzothiophen-4-amine?
The canonical SMILES for 7-bromo-6-ethoxy-1-benzothiophen-4-amine is CCOc1cc(N)c2ccsc2c1Br.
What is the InChIKey of 7-bromo-6-ethoxy-1-benzothiophen-4-amine?
The InChIKey is DEUXLVIDMRNFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNOS/c1-2-13-8-5-7(12)6-3-4-14-10(6)9(8)11/h3-5H,2,12H2,1H3.
What are the key properties of 7-bromo-6-ethoxy-1-benzothiophen-4-amine?
7-bromo-6-ethoxy-1-benzothiophen-4-amine has a molecular weight of 272.17 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-ethoxy-1-benzothiophen-4-amine is sourced from PubChem (CID 131031142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).