1-(4,5-dibromofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine

C13H15Br2N3O — CID 62085053

IUPAC1-(4,5-dibromofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1cccnc1)C(CN)c1cc(Br)c(Br)o1
InChIInChI=1S/C13H15Br2N3O/c1-18(8-9-3-2-4-17-7-9)11(6-16)12-5-10(14)13(15)19-12/h2-5,7,11H,6,8,16H2,1H3
InChIKeyGFNIKRAFTWKUQY-UHFFFAOYSA-N
MW389.09 g/mol
LogP3.33
Rot. Bonds5

About 1-(4,5-dibromofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine

1-(4,5-dibromofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine (PubChem CID 62085053) has the molecular formula C13H15Br2N3O and a molecular weight of 389.09 g/mol. Its IUPAC name is 1-(4,5-dibromofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4,5-dibromofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
PubChem CID62085053
Molecular FormulaC13H15Br2N3O
Molecular Weight389.09 g/mol
Exact Mass386.96
IUPAC Name1-(4,5-dibromofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1cccnc1)C(CN)c1cc(Br)c(Br)o1
InChIInChI=1S/C13H15Br2N3O/c1-18(8-9-3-2-4-17-7-9)11(6-16)12-5-10(14)13(15)19-12/h2-5,7,11H,6,8,16H2,1H3
InChIKeyGFNIKRAFTWKUQY-UHFFFAOYSA-N
XLogP3.33
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.09
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromophenyl)methyl]-1-(4,5-dibromofuran-2-yl)-N-methylethane-1,2-diamine
CID 62085068
N-methyl-1-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563212
1-(2-bromophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563265
1-(3-bromothiophen-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 115380316
N-methyl-N-(pyridin-3-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986235
1-(3-chloro-5-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 114453263
2-N,3,3-trimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 61324757
1-(1-benzothiophen-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62698310
1-(2-chloro-6-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563267
N-methyl-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43563998
N-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine
CID 43211751
1-(4,5-dibromofuran-2-yl)-N,N-diethylethane-1,2-diamine
CID 62084855

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(4,5-dibromofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine (CID 62085053) is 1-(4,5-dibromofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4,5-dibromofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4,5-dibromofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine is CN(Cc1cccnc1)C(CN)c1cc(Br)c(Br)o1.
What is the InChIKey of 1-(4,5-dibromofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is GFNIKRAFTWKUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2N3O/c1-18(8-9-3-2-4-17-7-9)11(6-16)12-5-10(14)13(15)19-12/h2-5,7,11H,6,8,16H2,1H3.
What are the key properties of 1-(4,5-dibromofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine?
1-(4,5-dibromofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 389.09 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62085053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).