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

C11H12BrNS — CID 131138124

IUPAC6-(bromomethyl)-3-ethyl-1-benzothiophen-4-amine
SMILESCCc1csc2cc(CBr)cc(N)c12
InChIInChI=1S/C11H12BrNS/c1-2-8-6-14-10-4-7(5-12)3-9(13)11(8)10/h3-4,6H,2,5,13H2,1H3
InChIKeyJZZNJZUOUQRNMJ-UHFFFAOYSA-N
MW270.20 g/mol
LogP3.94
Rot. Bonds2

About 6-(bromomethyl)-3-ethyl-1-benzothiophen-4-amine

6-(bromomethyl)-3-ethyl-1-benzothiophen-4-amine (PubChem CID 131138124) has the molecular formula C11H12BrNS and a molecular weight of 270.20 g/mol. Its IUPAC name is 6-(bromomethyl)-3-ethyl-1-benzothiophen-4-amine.

Molecular Properties

Compound Name6-(bromomethyl)-3-ethyl-1-benzothiophen-4-amine
PubChem CID131138124
Molecular FormulaC11H12BrNS
Molecular Weight270.20 g/mol
Exact Mass268.99
IUPAC Name6-(bromomethyl)-3-ethyl-1-benzothiophen-4-amine
SMILESCCc1csc2cc(CBr)cc(N)c12
InChIInChI=1S/C11H12BrNS/c1-2-8-6-14-10-4-7(5-12)3-9(13)11(8)10/h3-4,6H,2,5,13H2,1H3
InChIKeyJZZNJZUOUQRNMJ-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'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-6-(bromomethyl)-4-ethyl-1-benzothiophene
CID 131098238
3-(bromomethyl)-5-ethyl-1-benzothiophen-4-amine
CID 130826444
3-(bromomethyl)-6-ethyl-4-iodo-1-benzothiophene
CID 131123886
3-ethyl-4-fluoro-1-benzothiophen-5-amine
CID 130956296
6-bromo-4-chloro-3-ethyl-1-benzothiophene
CID 131119385
4-(chloromethyl)-3-ethyl-1-benzothiophen-5-amine
CID 130839166
5-(bromomethyl)-7-ethyl-1-benzothiophen-2-amine
CID 131169442
[7-amino-5-(bromomethyl)-1-benzothiophen-3-yl]methanol
CID 131191545
3-ethyl-6-methoxy-1-benzothiophen-5-amine
CID 130788559
(4-amino-6-methylsulfanyl-1-benzothiophen-3-yl)methanol
CID 130955447
4-ethyl-6-fluoro-1-benzothiophen-3-ol
CID 130826695
4-bromo-6-(bromomethyl)-1-benzothiophene-3-carbonitrile
CID 131215700

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-3-ethyl-1-benzothiophen-4-amine?
The IUPAC name of 6-(bromomethyl)-3-ethyl-1-benzothiophen-4-amine (CID 131138124) is 6-(bromomethyl)-3-ethyl-1-benzothiophen-4-amine.
What is the SMILES notation for 6-(bromomethyl)-3-ethyl-1-benzothiophen-4-amine?
The canonical SMILES for 6-(bromomethyl)-3-ethyl-1-benzothiophen-4-amine is CCc1csc2cc(CBr)cc(N)c12.
What is the InChIKey of 6-(bromomethyl)-3-ethyl-1-benzothiophen-4-amine?
The InChIKey is JZZNJZUOUQRNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNS/c1-2-8-6-14-10-4-7(5-12)3-9(13)11(8)10/h3-4,6H,2,5,13H2,1H3.
What are the key properties of 6-(bromomethyl)-3-ethyl-1-benzothiophen-4-amine?
6-(bromomethyl)-3-ethyl-1-benzothiophen-4-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 6-(bromomethyl)-3-ethyl-1-benzothiophen-4-amine is sourced from PubChem (CID 131138124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).