1-(4,5-dibromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine

C12H19Br2NS — CID 80534026

IUPAC1-(4,5-dibromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine
SMILESCCNC(c1cc(Br)c(Br)s1)C(C)(C)CC
InChIInChI=1S/C12H19Br2NS/c1-5-12(3,4)10(15-6-2)9-7-8(13)11(14)16-9/h7,10,15H,5-6H2,1-4H3
InChIKeyDJHAFZFZKGXDOF-UHFFFAOYSA-N
MW369.17 g/mol
LogP5.36
Rot. Bonds5

About 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine

1-(4,5-dibromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine (PubChem CID 80534026) has the molecular formula C12H19Br2NS and a molecular weight of 369.17 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine
PubChem CID80534026
Molecular FormulaC12H19Br2NS
Molecular Weight369.17 g/mol
Exact Mass366.96
IUPAC Name1-(4,5-dibromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine
SMILESCCNC(c1cc(Br)c(Br)s1)C(C)(C)CC
InChIInChI=1S/C12H19Br2NS/c1-5-12(3,4)10(15-6-2)9-7-8(13)11(14)16-9/h7,10,15H,5-6H2,1-4H3
InChIKeyDJHAFZFZKGXDOF-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.17
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dibromo-5-(1-bromo-2,2-dimethylbutyl)thiophene
CID 80534571
1-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 62678969
1-(4,5-dibromothiophen-2-yl)-2,2-dimethylbutan-1-amine
CID 80533046
1-(4,5-dibromothiophen-2-yl)-N-ethylethane-1,2-diamine
CID 102839030
1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 80531358
1-(4-bromo-5-chlorothiophen-2-yl)-N,2,2-trimethylbutan-1-amine
CID 102828223
N-[(4,5-dibromothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 80533941
1-(4,5-dibromothiophen-2-yl)-N-ethylpentan-1-amine
CID 80533934
N-[(4,5-dibromothiophen-2-yl)-phenylmethyl]ethanamine
CID 80533895
N-[(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 80533919
N-[(4,5-dibromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 80533963
1-(4-bromophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 63508774

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine (CID 80534026) is 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine is CCNC(c1cc(Br)c(Br)s1)C(C)(C)CC.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine?
The InChIKey is DJHAFZFZKGXDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Br2NS/c1-5-12(3,4)10(15-6-2)9-7-8(13)11(14)16-9/h7,10,15H,5-6H2,1-4H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine?
1-(4,5-dibromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine has a molecular weight of 369.17 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 80534026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).