2-(4,5-dibromofuran-2-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine

C13H21Br2N3O — CID 62887499

IUPAC2-(4,5-dibromofuran-2-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
SMILESCN(C)CC1CCCN1C(CN)c1cc(Br)c(Br)o1
InChIInChI=1S/C13H21Br2N3O/c1-17(2)8-9-4-3-5-18(9)11(7-16)12-6-10(14)13(15)19-12/h6,9,11H,3-5,7-8,16H2,1-2H3
InChIKeyZKEHZQLDIZABRV-UHFFFAOYSA-N
MW395.14 g/mol
LogP2.83
Rot. Bonds5

About 2-(4,5-dibromofuran-2-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine

2-(4,5-dibromofuran-2-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine (PubChem CID 62887499) has the molecular formula C13H21Br2N3O and a molecular weight of 395.14 g/mol. Its IUPAC name is 2-(4,5-dibromofuran-2-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(4,5-dibromofuran-2-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
PubChem CID62887499
Molecular FormulaC13H21Br2N3O
Molecular Weight395.14 g/mol
Exact Mass393.01
IUPAC Name2-(4,5-dibromofuran-2-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
SMILESCN(C)CC1CCCN1C(CN)c1cc(Br)c(Br)o1
InChIInChI=1S/C13H21Br2N3O/c1-17(2)8-9-4-3-5-18(9)11(7-16)12-6-10(14)13(15)19-12/h6,9,11H,3-5,7-8,16H2,1-2H3
InChIKeyZKEHZQLDIZABRV-UHFFFAOYSA-N
XLogP2.83
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.14
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-3-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
CID 81436524
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4,5-dibromofuran-2-yl)ethanamine
CID 65319036
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanamine
CID 62885714
2-(3-chlorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
CID 62886589
2-(4-chloro-2-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
CID 114843143
2-(4,5-dibromofuran-2-yl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 62085064
2-(4,5-dibromofuran-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 55032552
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822274
2-(4,5-dibromofuran-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62198718
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(2-ethoxyphenyl)ethanamine
CID 62884895
2-(4,5-dibromofuran-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63972477
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methylsulfanylbutan-1-amine
CID 62887144

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromofuran-2-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-(4,5-dibromofuran-2-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine (CID 62887499) is 2-(4,5-dibromofuran-2-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-(4,5-dibromofuran-2-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-(4,5-dibromofuran-2-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine is CN(C)CC1CCCN1C(CN)c1cc(Br)c(Br)o1.
What is the InChIKey of 2-(4,5-dibromofuran-2-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine?
The InChIKey is ZKEHZQLDIZABRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21Br2N3O/c1-17(2)8-9-4-3-5-18(9)11(7-16)12-6-10(14)13(15)19-12/h6,9,11H,3-5,7-8,16H2,1-2H3.
What are the key properties of 2-(4,5-dibromofuran-2-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine?
2-(4,5-dibromofuran-2-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine has a molecular weight of 395.14 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromofuran-2-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 62887499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).