N-(2-bromo-5-methylphenyl)-1-(4-bromothiophen-2-yl)ethane-1,2-diamine

C13H14Br2N2S — CID 82757533

IUPACN-(2-bromo-5-methylphenyl)-1-(4-bromothiophen-2-yl)ethane-1,2-diamine
SMILESCc1ccc(Br)c(NC(CN)c2cc(Br)cs2)c1
InChIInChI=1S/C13H14Br2N2S/c1-8-2-3-10(15)11(4-8)17-12(6-16)13-5-9(14)7-18-13/h2-5,7,12,17H,6,16H2,1H3
InChIKeyWALUODGIPBZQAE-UHFFFAOYSA-N
MW390.14 g/mol
LogP4.69
Rot. Bonds4

About N-(2-bromo-5-methylphenyl)-1-(4-bromothiophen-2-yl)ethane-1,2-diamine

N-(2-bromo-5-methylphenyl)-1-(4-bromothiophen-2-yl)ethane-1,2-diamine (PubChem CID 82757533) has the molecular formula C13H14Br2N2S and a molecular weight of 390.14 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-1-(4-bromothiophen-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-1-(4-bromothiophen-2-yl)ethane-1,2-diamine
PubChem CID82757533
Molecular FormulaC13H14Br2N2S
Molecular Weight390.14 g/mol
Exact Mass387.92
IUPAC NameN-(2-bromo-5-methylphenyl)-1-(4-bromothiophen-2-yl)ethane-1,2-diamine
SMILESCc1ccc(Br)c(NC(CN)c2cc(Br)cs2)c1
InChIInChI=1S/C13H14Br2N2S/c1-8-2-3-10(15)11(4-8)17-12(6-16)13-5-9(14)7-18-13/h2-5,7,12,17H,6,16H2,1H3
InChIKeyWALUODGIPBZQAE-UHFFFAOYSA-N
XLogP4.69
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.14
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-methylphenyl)-1-(3-bromophenyl)ethane-1,2-diamine
CID 82756852
N-(2-bromo-5-methylphenyl)-1-(3,4-dimethylphenyl)ethane-1,2-diamine
CID 82756921
1-(4-bromothiophen-2-yl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 104721794
2-(4-bromothiophen-2-yl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 83010765
1-(1-benzofuran-3-yl)-N-(2-bromo-5-methylphenyl)ethane-1,2-diamine
CID 82745916
2-bromo-5-methyl-N-[1-(4-methylphenyl)propyl]aniline
CID 82761260
N-(2-bromo-5-methylphenyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937262
N-(2-bromo-5-methylphenyl)-1-(2-chloro-6-methoxyphenyl)ethane-1,2-diamine
CID 104816416
1-(4-chlorothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 79427844
1-(4,5-dibromothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 102839565
5-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]amino]pentan-1-ol
CID 107317095
2-N-(2-bromo-5-methylphenyl)-3-cyclohexylpropane-1,2-diamine
CID 82761182

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-1-(4-bromothiophen-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-bromo-5-methylphenyl)-1-(4-bromothiophen-2-yl)ethane-1,2-diamine (CID 82757533) is N-(2-bromo-5-methylphenyl)-1-(4-bromothiophen-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-1-(4-bromothiophen-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-1-(4-bromothiophen-2-yl)ethane-1,2-diamine is Cc1ccc(Br)c(NC(CN)c2cc(Br)cs2)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-1-(4-bromothiophen-2-yl)ethane-1,2-diamine?
The InChIKey is WALUODGIPBZQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2S/c1-8-2-3-10(15)11(4-8)17-12(6-16)13-5-9(14)7-18-13/h2-5,7,12,17H,6,16H2,1H3.
What are the key properties of N-(2-bromo-5-methylphenyl)-1-(4-bromothiophen-2-yl)ethane-1,2-diamine?
N-(2-bromo-5-methylphenyl)-1-(4-bromothiophen-2-yl)ethane-1,2-diamine has a molecular weight of 390.14 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-1-(4-bromothiophen-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 82757533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).