N-(4-bromo-3-chlorophenyl)-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine

C12H10Br3ClN2S — CID 107619632

IUPACN-(4-bromo-3-chlorophenyl)-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
SMILESNCC(Nc1ccc(Br)c(Cl)c1)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H10Br3ClN2S/c13-7-2-1-6(3-9(7)16)18-10(5-17)11-4-8(14)12(15)19-11/h1-4,10,18H,5,17H2
InChIKeySVHBFMRCDJKFHZ-UHFFFAOYSA-N
MW489.46 g/mol
LogP5.80
Rot. Bonds4

About N-(4-bromo-3-chlorophenyl)-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine

N-(4-bromo-3-chlorophenyl)-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine (PubChem CID 107619632) has the molecular formula C12H10Br3ClN2S and a molecular weight of 489.46 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
PubChem CID107619632
Molecular FormulaC12H10Br3ClN2S
Molecular Weight489.46 g/mol
Exact Mass485.78
IUPAC NameN-(4-bromo-3-chlorophenyl)-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
SMILESNCC(Nc1ccc(Br)c(Cl)c1)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H10Br3ClN2S/c13-7-2-1-6(3-9(7)16)18-10(5-17)11-4-8(14)12(15)19-11/h1-4,10,18H,5,17H2
InChIKeySVHBFMRCDJKFHZ-UHFFFAOYSA-N
XLogP5.80
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.46
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dibromothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 102839565
N-(4-bromo-3-chlorophenyl)-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine
CID 107619443
1-(4-bromo-5-chlorothiophen-2-yl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 102839520
1-(4,5-dibromothiophen-2-yl)-N-ethylethane-1,2-diamine
CID 102839030
N-(4-bromo-3-chlorophenyl)-1-(3-ethoxyphenyl)ethane-1,2-diamine
CID 107619711
1-(4-bromothiophen-2-yl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 104721794
N-but-2-ynyl-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
CID 102839925
5-[[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]amino]pentan-1-ol
CID 107316823
2-N-(4-bromo-3-chlorophenyl)heptane-1,2-diamine
CID 107619613
1-(4,5-dibromothiophen-2-yl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine
CID 102839747
1-(5-bromothiophen-2-yl)-N-(3-chlorophenyl)ethane-1,2-diamine
CID 65385499
[2-(3-chloro-4-pyridinyl)-1-(4,5-dibromothiophen-2-yl)ethyl]hydrazine
CID 105314841

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine (CID 107619632) is N-(4-bromo-3-chlorophenyl)-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine is NCC(Nc1ccc(Br)c(Cl)c1)c1cc(Br)c(Br)s1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine?
The InChIKey is SVHBFMRCDJKFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br3ClN2S/c13-7-2-1-6(3-9(7)16)18-10(5-17)11-4-8(14)12(15)19-11/h1-4,10,18H,5,17H2.
What are the key properties of N-(4-bromo-3-chlorophenyl)-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine?
N-(4-bromo-3-chlorophenyl)-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine has a molecular weight of 489.46 g/mol, XLogP of 5.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 107619632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).