3-(bromomethyl)-5-ethyl-1-benzothiophen-4-amine

C11H12BrNS — CID 130826444

IUPAC3-(bromomethyl)-5-ethyl-1-benzothiophen-4-amine
SMILESCCc1ccc2scc(CBr)c2c1N
InChIInChI=1S/C11H12BrNS/c1-2-7-3-4-9-10(11(7)13)8(5-12)6-14-9/h3-4,6H,2,5,13H2,1H3
InChIKeyGFQNFRWGWHDKNL-UHFFFAOYSA-N
MW270.19 g/mol
LogP3.94
Rot. Bonds2

About 3-(bromomethyl)-5-ethyl-1-benzothiophen-4-amine

3-(bromomethyl)-5-ethyl-1-benzothiophen-4-amine (PubChem CID 130826444) has the molecular formula C11H12BrNS and a molecular weight of 270.19 g/mol. Its IUPAC name is 3-(bromomethyl)-5-ethyl-1-benzothiophen-4-amine.

Molecular Properties

Compound Name3-(bromomethyl)-5-ethyl-1-benzothiophen-4-amine
PubChem CID130826444
Molecular FormulaC11H12BrNS
Molecular Weight270.19 g/mol
Exact Mass268.99
IUPAC Name3-(bromomethyl)-5-ethyl-1-benzothiophen-4-amine
SMILESCCc1ccc2scc(CBr)c2c1N
InChIInChI=1S/C11H12BrNS/c1-2-7-3-4-9-10(11(7)13)8(5-12)6-14-9/h3-4,6H,2,5,13H2,1H3
InChIKeyGFQNFRWGWHDKNL-UHFFFAOYSA-N
XLogP3.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-4-fluoro-1-benzothiophen-5-amine
CID 130956296
6-(bromomethyl)-3-ethyl-1-benzothiophen-4-amine
CID 131138124
4-(chloromethyl)-3-ethyl-1-benzothiophen-5-amine
CID 130839166
3-(bromomethyl)-6-ethyl-4-iodo-1-benzothiophene
CID 131123886
5-bromo-3-(bromomethyl)-1-benzothiophene-4-carbaldehyde
CID 130969989
3-(bromomethyl)-5-chloro-1-benzothiophen-4-ol
CID 130792713
5-bromo-3-(bromomethyl)-4-iodo-1-benzothiophene
CID 130901201
[4-bromo-5-(bromomethyl)-1-benzothiophen-3-yl]methanol
CID 130885352
3-(bromomethyl)-4-chloro-5-fluoro-1-benzothiophene
CID 131075995
3-bromo-6-(bromomethyl)-4-ethyl-1-benzothiophene
CID 131098238
5-ethyl-4-fluoro-3-iodo-1-benzothiophene
CID 130870716
5-bromo-3-ethyl-1-benzothiophene
CID 11708535

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-5-ethyl-1-benzothiophen-4-amine?
The IUPAC name of 3-(bromomethyl)-5-ethyl-1-benzothiophen-4-amine (CID 130826444) is 3-(bromomethyl)-5-ethyl-1-benzothiophen-4-amine.
What is the SMILES notation for 3-(bromomethyl)-5-ethyl-1-benzothiophen-4-amine?
The canonical SMILES for 3-(bromomethyl)-5-ethyl-1-benzothiophen-4-amine is CCc1ccc2scc(CBr)c2c1N.
What is the InChIKey of 3-(bromomethyl)-5-ethyl-1-benzothiophen-4-amine?
The InChIKey is GFQNFRWGWHDKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNS/c1-2-7-3-4-9-10(11(7)13)8(5-12)6-14-9/h3-4,6H,2,5,13H2,1H3.
What are the key properties of 3-(bromomethyl)-5-ethyl-1-benzothiophen-4-amine?
3-(bromomethyl)-5-ethyl-1-benzothiophen-4-amine has a molecular weight of 270.19 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5-ethyl-1-benzothiophen-4-amine is sourced from PubChem (CID 130826444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).