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

C13H14Br2N2S — CID 102839565

IUPAC1-(4,5-dibromothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(NC(CN)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C13H14Br2N2S/c1-8-2-4-9(5-3-8)17-11(7-16)12-6-10(14)13(15)18-12/h2-6,11,17H,7,16H2,1H3
InChIKeyQUXRWEFWBSPBBI-UHFFFAOYSA-N
MW390.14 g/mol
LogP4.69
Rot. Bonds4

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

1-(4,5-dibromothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 102839565) has the molecular formula C13H14Br2N2S and a molecular weight of 390.14 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine
PubChem CID102839565
Molecular FormulaC13H14Br2N2S
Molecular Weight390.14 g/mol
Exact Mass387.92
IUPAC Name1-(4,5-dibromothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(NC(CN)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C13H14Br2N2S/c1-8-2-4-9(5-3-8)17-11(7-16)12-6-10(14)13(15)18-12/h2-6,11,17H,7,16H2,1H3
InChIKeyQUXRWEFWBSPBBI-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-(4-bromo-3-chlorophenyl)-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
CID 107619632
1-(4,5-dibromothiophen-2-yl)-N-ethylethane-1,2-diamine
CID 102839030
1-(4-chlorothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 79427844
N-but-2-ynyl-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
CID 102839925
1-(4,5-dibromothiophen-2-yl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine
CID 102839747
5-[[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]amino]pentan-1-ol
CID 107316823
N-(3-bromo-5-methylphenyl)-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
CID 107582817
1-(4,5-dibromothiophen-2-yl)-N,N-dimethylethane-1,2-diamine
CID 102838170
N-(3,5-dimethylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 82131994
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 80532880
1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65377760
N-(4-bromo-3-chlorophenyl)-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine
CID 107619443

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine (CID 102839565) is 1-(4,5-dibromothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine is Cc1ccc(NC(CN)c2cc(Br)c(Br)s2)cc1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is QUXRWEFWBSPBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2S/c1-8-2-4-9(5-3-8)17-11(7-16)12-6-10(14)13(15)18-12/h2-6,11,17H,7,16H2,1H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine?
1-(4,5-dibromothiophen-2-yl)-N-(4-methylphenyl)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 1-(4,5-dibromothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 102839565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).