1-(5-bromofuran-2-yl)-N-(3-bromophenyl)ethane-1,2-diamine

C12H12Br2N2O — CID 65377477

IUPAC1-(5-bromofuran-2-yl)-N-(3-bromophenyl)ethane-1,2-diamine
SMILESNCC(Nc1cccc(Br)c1)c1ccc(Br)o1
InChIInChI=1S/C12H12Br2N2O/c13-8-2-1-3-9(6-8)16-10(7-15)11-4-5-12(14)17-11/h1-6,10,16H,7,15H2
InChIKeyWLJFOIIEEJKRRJ-UHFFFAOYSA-N
MW360.05 g/mol
LogP3.92
Rot. Bonds4

About 1-(5-bromofuran-2-yl)-N-(3-bromophenyl)ethane-1,2-diamine

1-(5-bromofuran-2-yl)-N-(3-bromophenyl)ethane-1,2-diamine (PubChem CID 65377477) has the molecular formula C12H12Br2N2O and a molecular weight of 360.05 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-(3-bromophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-(3-bromophenyl)ethane-1,2-diamine
PubChem CID65377477
Molecular FormulaC12H12Br2N2O
Molecular Weight360.05 g/mol
Exact Mass357.93
IUPAC Name1-(5-bromofuran-2-yl)-N-(3-bromophenyl)ethane-1,2-diamine
SMILESNCC(Nc1cccc(Br)c1)c1ccc(Br)o1
InChIInChI=1S/C12H12Br2N2O/c13-8-2-1-3-9(6-8)16-10(7-15)11-4-5-12(14)17-11/h1-6,10,16H,7,15H2
InChIKeyWLJFOIIEEJKRRJ-UHFFFAOYSA-N
XLogP3.92
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.05
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65377278
N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378943
1-(5-bromofuran-2-yl)-N-(2-methylphenyl)ethane-1,2-diamine
CID 65377791
N-(3-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65378734
N-(3-bromophenyl)-1-isoquinolin-4-ylethane-1,2-diamine
CID 104504152
1-(3-bromophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65382973
2-N-(3-bromophenyl)-3-methylbutane-1,2-diamine
CID 65377898
N-(3-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65376857
N-(3-bromophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 65379159
N-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethane-1,2-diamine
CID 65379203
3-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]propan-1-ol
CID 65376147
N-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 65378731

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-(3-bromophenyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-(3-bromophenyl)ethane-1,2-diamine (CID 65377477) is 1-(5-bromofuran-2-yl)-N-(3-bromophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-(3-bromophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-(3-bromophenyl)ethane-1,2-diamine is NCC(Nc1cccc(Br)c1)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-(3-bromophenyl)ethane-1,2-diamine?
The InChIKey is WLJFOIIEEJKRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2O/c13-8-2-1-3-9(6-8)16-10(7-15)11-4-5-12(14)17-11/h1-6,10,16H,7,15H2.
What are the key properties of 1-(5-bromofuran-2-yl)-N-(3-bromophenyl)ethane-1,2-diamine?
1-(5-bromofuran-2-yl)-N-(3-bromophenyl)ethane-1,2-diamine has a molecular weight of 360.05 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-N-(3-bromophenyl)ethane-1,2-diamine is sourced from PubChem (CID 65377477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).