2,6-dibromo-N-[1-(5-bromothiophen-2-yl)ethyl]aniline

C12H10Br3NS — CID 107597590

IUPAC2,6-dibromo-N-[1-(5-bromothiophen-2-yl)ethyl]aniline
SMILESCC(Nc1c(Br)cccc1Br)c1ccc(Br)s1
InChIInChI=1S/C12H10Br3NS/c1-7(10-5-6-11(15)17-10)16-12-8(13)3-2-4-9(12)14/h2-7,16H,1H3
InChIKeyGXZHPRPISVGPSY-UHFFFAOYSA-N
MW440.00 g/mol
LogP6.21
Rot. Bonds3

About 2,6-dibromo-N-[1-(5-bromothiophen-2-yl)ethyl]aniline

2,6-dibromo-N-[1-(5-bromothiophen-2-yl)ethyl]aniline (PubChem CID 107597590) has the molecular formula C12H10Br3NS and a molecular weight of 440.00 g/mol. Its IUPAC name is 2,6-dibromo-N-[1-(5-bromothiophen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2,6-dibromo-N-[1-(5-bromothiophen-2-yl)ethyl]aniline
PubChem CID107597590
Molecular FormulaC12H10Br3NS
Molecular Weight440.00 g/mol
Exact Mass436.81
IUPAC Name2,6-dibromo-N-[1-(5-bromothiophen-2-yl)ethyl]aniline
SMILESCC(Nc1c(Br)cccc1Br)c1ccc(Br)s1
InChIInChI=1S/C12H10Br3NS/c1-7(10-5-6-11(15)17-10)16-12-8(13)3-2-4-9(12)14/h2-7,16H,1H3
InChIKeyGXZHPRPISVGPSY-UHFFFAOYSA-N
XLogP6.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.00
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-bromophenyl)-N-[1-(5-bromothiophen-2-yl)ethyl]ethanamine
CID 81378370
N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dichloroaniline
CID 63422025
[(1S)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 93426787
4-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-3-methylaniline
CID 63419250
2-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-4-methylaniline
CID 63418639
N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dichloroaniline
CID 63422945
methyl 3,5-dibromo-2-[1-(5-bromothiophen-2-yl)ethylamino]benzoate
CID 63451797
2-[1-(5-bromothiophen-2-yl)ethylamino]-6-methylbenzonitrile
CID 107803553
N-[1-(5-bromothiophen-2-yl)ethyl]-2-methylpyridin-3-amine
CID 79042136
2-[1-(2,6-dibromoanilino)ethyl]phenol
CID 107597669
1-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82719779
6-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 63426677

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-[1-(5-bromothiophen-2-yl)ethyl]aniline?
The IUPAC name of 2,6-dibromo-N-[1-(5-bromothiophen-2-yl)ethyl]aniline (CID 107597590) is 2,6-dibromo-N-[1-(5-bromothiophen-2-yl)ethyl]aniline.
What is the SMILES notation for 2,6-dibromo-N-[1-(5-bromothiophen-2-yl)ethyl]aniline?
The canonical SMILES for 2,6-dibromo-N-[1-(5-bromothiophen-2-yl)ethyl]aniline is CC(Nc1c(Br)cccc1Br)c1ccc(Br)s1.
What is the InChIKey of 2,6-dibromo-N-[1-(5-bromothiophen-2-yl)ethyl]aniline?
The InChIKey is GXZHPRPISVGPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br3NS/c1-7(10-5-6-11(15)17-10)16-12-8(13)3-2-4-9(12)14/h2-7,16H,1H3.
What are the key properties of 2,6-dibromo-N-[1-(5-bromothiophen-2-yl)ethyl]aniline?
2,6-dibromo-N-[1-(5-bromothiophen-2-yl)ethyl]aniline has a molecular weight of 440.00 g/mol, XLogP of 6.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-[1-(5-bromothiophen-2-yl)ethyl]aniline is sourced from PubChem (CID 107597590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).