4-bromo-2-ethoxy-1-benzothiophen-5-amine

C10H10BrNOS — CID 131031143

IUPAC4-bromo-2-ethoxy-1-benzothiophen-5-amine
SMILESCCOc1cc2c(Br)c(N)ccc2s1
InChIInChI=1S/C10H10BrNOS/c1-2-13-9-5-6-8(14-9)4-3-7(12)10(6)11/h3-5H,2,12H2,1H3
InChIKeyQGNFWEJLYIVZRB-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.64
Rot. Bonds2

About 4-bromo-2-ethoxy-1-benzothiophen-5-amine

4-bromo-2-ethoxy-1-benzothiophen-5-amine (PubChem CID 131031143) has the molecular formula C10H10BrNOS and a molecular weight of 272.17 g/mol. Its IUPAC name is 4-bromo-2-ethoxy-1-benzothiophen-5-amine.

Molecular Properties

Compound Name4-bromo-2-ethoxy-1-benzothiophen-5-amine
PubChem CID131031143
Molecular FormulaC10H10BrNOS
Molecular Weight272.17 g/mol
Exact Mass270.97
IUPAC Name4-bromo-2-ethoxy-1-benzothiophen-5-amine
SMILESCCOc1cc2c(Br)c(N)ccc2s1
InChIInChI=1S/C10H10BrNOS/c1-2-13-9-5-6-8(14-9)4-3-7(12)10(6)11/h3-5H,2,12H2,1H3
InChIKeyQGNFWEJLYIVZRB-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

5-bromo-2-ethoxy-1-benzothiophene-4-thiol
CID 130866367
4,5-dichloro-2-ethoxy-1-benzothiophene
CID 130785955
5-chloro-2-ethoxy-4-methyl-1-benzothiophene
CID 130866123
4-amino-5-ethoxy-1-benzothiophen-2-ol
CID 130941853
6-bromo-3-ethoxy-1-benzothiophen-2-amine
CID 131075965
2-amino-4-ethoxy-1-benzothiophene-5-thiol
CID 131080544
4-bromo-2-methoxy-5-methylsulfanyl-1-benzothiophene
CID 130885377
7-bromo-6-ethoxy-1-benzothiophen-4-amine
CID 131031142
2-bromo-6-ethoxy-1-benzothiophene-3-thiol
CID 131075867
4-(bromomethyl)-2-ethyl-1-benzothiophen-5-amine
CID 130788319
diethyl thieno[3,2-e][1]benzothiole-2,7-dicarboxylate
CID 171984196
2-ethoxy-8-methoxydibenzothiophene
CID 172565133

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethoxy-1-benzothiophen-5-amine?
The IUPAC name of 4-bromo-2-ethoxy-1-benzothiophen-5-amine (CID 131031143) is 4-bromo-2-ethoxy-1-benzothiophen-5-amine.
What is the SMILES notation for 4-bromo-2-ethoxy-1-benzothiophen-5-amine?
The canonical SMILES for 4-bromo-2-ethoxy-1-benzothiophen-5-amine is CCOc1cc2c(Br)c(N)ccc2s1.
What is the InChIKey of 4-bromo-2-ethoxy-1-benzothiophen-5-amine?
The InChIKey is QGNFWEJLYIVZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNOS/c1-2-13-9-5-6-8(14-9)4-3-7(12)10(6)11/h3-5H,2,12H2,1H3.
What are the key properties of 4-bromo-2-ethoxy-1-benzothiophen-5-amine?
4-bromo-2-ethoxy-1-benzothiophen-5-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 4-bromo-2-ethoxy-1-benzothiophen-5-amine is sourced from PubChem (CID 131031143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).