5-(bromomethyl)-7-ethyl-1-benzothiophen-2-amine

C11H12BrNS — CID 131169442

IUPAC5-(bromomethyl)-7-ethyl-1-benzothiophen-2-amine
SMILESCCc1cc(CBr)cc2cc(N)sc12
InChIInChI=1S/C11H12BrNS/c1-2-8-3-7(6-12)4-9-5-10(13)14-11(8)9/h3-5H,2,6,13H2,1H3
InChIKeyOWKASTXYYNGMPJ-UHFFFAOYSA-N
MW270.20 g/mol
LogP3.94
Rot. Bonds2

About 5-(bromomethyl)-7-ethyl-1-benzothiophen-2-amine

5-(bromomethyl)-7-ethyl-1-benzothiophen-2-amine (PubChem CID 131169442) has the molecular formula C11H12BrNS and a molecular weight of 270.20 g/mol. Its IUPAC name is 5-(bromomethyl)-7-ethyl-1-benzothiophen-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-7-ethyl-1-benzothiophen-2-amine
PubChem CID131169442
Molecular FormulaC11H12BrNS
Molecular Weight270.20 g/mol
Exact Mass268.99
IUPAC Name5-(bromomethyl)-7-ethyl-1-benzothiophen-2-amine
SMILESCCc1cc(CBr)cc2cc(N)sc12
InChIInChI=1S/C11H12BrNS/c1-2-8-3-7(6-12)4-9-5-10(13)14-11(8)9/h3-5H,2,6,13H2,1H3
InChIKeyOWKASTXYYNGMPJ-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 ≤ 500270.20
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-2-chloro-7-ethyl-1-benzothiophene
CID 131060216
5-bromo-2-(bromomethyl)-7-ethyl-1-benzothiophene
CID 131214219
6-(bromomethyl)-3-ethyl-1-benzothiophen-4-amine
CID 131138124
2-(bromomethyl)-5-ethyl-7-fluoro-1-benzothiophene
CID 130985210
3-bromo-6-(bromomethyl)-4-ethyl-1-benzothiophene
CID 131098238
6-(chloromethyl)-5-ethyl-1-benzothiophen-2-amine
CID 130866214
2-(bromomethyl)-7-chloro-5-ethyl-1-benzothiophene
CID 131122564
2-amino-7-ethyl-1-benzothiophen-4-ol
CID 130971743
5-amino-3-ethylthiophene-2-carbaldehyde
CID 96589959
5-(bromomethyl)-2-chloro-7-methylsulfanyl-1-benzothiophene
CID 131138077
2-amino-7-ethoxy-1-benzothiophene-5-thiol
CID 130816647
7-ethyl-2-sulfanyl-1-benzothiophen-5-ol
CID 131145551

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-7-ethyl-1-benzothiophen-2-amine?
The IUPAC name of 5-(bromomethyl)-7-ethyl-1-benzothiophen-2-amine (CID 131169442) is 5-(bromomethyl)-7-ethyl-1-benzothiophen-2-amine.
What is the SMILES notation for 5-(bromomethyl)-7-ethyl-1-benzothiophen-2-amine?
The canonical SMILES for 5-(bromomethyl)-7-ethyl-1-benzothiophen-2-amine is CCc1cc(CBr)cc2cc(N)sc12.
What is the InChIKey of 5-(bromomethyl)-7-ethyl-1-benzothiophen-2-amine?
The InChIKey is OWKASTXYYNGMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNS/c1-2-8-3-7(6-12)4-9-5-10(13)14-11(8)9/h3-5H,2,6,13H2,1H3.
What are the key properties of 5-(bromomethyl)-7-ethyl-1-benzothiophen-2-amine?
5-(bromomethyl)-7-ethyl-1-benzothiophen-2-amine has a molecular weight of 270.20 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 5-(bromomethyl)-7-ethyl-1-benzothiophen-2-amine is sourced from PubChem (CID 131169442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).