1-(2,5-dibromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine

C13H15Br2NS2 — CID 107968131

IUPAC1-(2,5-dibromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2cc(Br)sc2Br)s1
InChIInChI=1S/C13H15Br2NS2/c1-3-8-4-5-9(17-8)6-11(16-2)10-7-12(14)18-13(10)15/h4-5,7,11,16H,3,6H2,1-2H3
InChIKeyUURZRSWXXHFDOP-UHFFFAOYSA-N
MW409.21 g/mol
LogP5.40
Rot. Bonds5

About 1-(2,5-dibromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine

1-(2,5-dibromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine (PubChem CID 107968131) has the molecular formula C13H15Br2NS2 and a molecular weight of 409.21 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
PubChem CID107968131
Molecular FormulaC13H15Br2NS2
Molecular Weight409.21 g/mol
Exact Mass406.90
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2cc(Br)sc2Br)s1
InChIInChI=1S/C13H15Br2NS2/c1-3-8-4-5-9(17-8)6-11(16-2)10-7-12(14)18-13(10)15/h4-5,7,11,16H,3,6H2,1-2H3
InChIKeyUURZRSWXXHFDOP-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.21
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43486882
1-(2,5-dibromothiophen-3-yl)-2-(furan-3-yl)-N-methylethanamine
CID 107968943
1-(2-bromo-3,4-difluorophenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 107539084
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107968162
1-(2,5-dibromothiophen-3-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 107968086
1-(2,5-dibromothiophen-3-yl)-N,3,3-trimethylbutan-1-amine
CID 43486942
1-(2,5-dibromothiophen-3-yl)-N-methyloctan-1-amine
CID 43486900
2-(5-ethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 115842340
1-(2-bromo-4-methylphenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
CID 115840991
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 107968755
1-(2-bromo-4-chlorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
CID 114025025
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 107968090

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine (CID 107968131) is 1-(2,5-dibromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine is CCc1ccc(CC(NC)c2cc(Br)sc2Br)s1.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine?
The InChIKey is UURZRSWXXHFDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NS2/c1-3-8-4-5-9(17-8)6-11(16-2)10-7-12(14)18-13(10)15/h4-5,7,11,16H,3,6H2,1-2H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine?
1-(2,5-dibromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine has a molecular weight of 409.21 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 107968131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).