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

C12H20BrNS — CID 62678969

IUPAC1-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine
SMILESCCNC(c1ccc(Br)s1)C(C)(C)CC
InChIInChI=1S/C12H20BrNS/c1-5-12(3,4)11(14-6-2)9-7-8-10(13)15-9/h7-8,11,14H,5-6H2,1-4H3
InChIKeyUWBFNQHXBTUBFG-UHFFFAOYSA-N
MW290.27 g/mol
LogP4.60
Rot. Bonds5

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

1-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine (PubChem CID 62678969) has the molecular formula C12H20BrNS and a molecular weight of 290.27 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine
PubChem CID62678969
Molecular FormulaC12H20BrNS
Molecular Weight290.27 g/mol
Exact Mass289.05
IUPAC Name1-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine
SMILESCCNC(c1ccc(Br)s1)C(C)(C)CC
InChIInChI=1S/C12H20BrNS/c1-5-12(3,4)11(14-6-2)9-7-8-10(13)15-9/h7-8,11,14H,5-6H2,1-4H3
InChIKeyUWBFNQHXBTUBFG-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-dibromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 80534026
1-(4-bromophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 63508774
1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine
CID 61101878
1-(5-bromothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
CID 61103795
3-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]pentan-3-ol
CID 65105459
1-(5-bromothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 61063795
1-(5-bromothiophen-2-yl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114474799
N-[(5-bromothiophen-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 61103404
N-[(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 80533919
1-[1-(5-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 65102628
1-(5-bromothiophen-2-yl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79063659
N-[(5-bromothiophen-2-yl)-(2-methylphenyl)methyl]ethanamine
CID 61103990

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine (CID 62678969) is 1-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine is CCNC(c1ccc(Br)s1)C(C)(C)CC.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine?
The InChIKey is UWBFNQHXBTUBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNS/c1-5-12(3,4)11(14-6-2)9-7-8-10(13)15-9/h7-8,11,14H,5-6H2,1-4H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine?
1-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine has a molecular weight of 290.27 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 62678969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).