2-(4,5-dibromofuran-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine

C14H22Br2N2O — CID 62198718

IUPAC2-(4,5-dibromofuran-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine
SMILESCCCC1CCN(C(CN)c2cc(Br)c(Br)o2)CC1
InChIInChI=1S/C14H22Br2N2O/c1-2-3-10-4-6-18(7-5-10)12(9-17)13-8-11(15)14(16)19-13/h8,10,12H,2-7,9,17H2,1H3
InChIKeyIFSAKPWCWVKCHL-UHFFFAOYSA-N
MW394.15 g/mol
LogP4.32
Rot. Bonds5

About 2-(4,5-dibromofuran-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine

2-(4,5-dibromofuran-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine (PubChem CID 62198718) has the molecular formula C14H22Br2N2O and a molecular weight of 394.15 g/mol. Its IUPAC name is 2-(4,5-dibromofuran-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4,5-dibromofuran-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine
PubChem CID62198718
Molecular FormulaC14H22Br2N2O
Molecular Weight394.15 g/mol
Exact Mass392.01
IUPAC Name2-(4,5-dibromofuran-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine
SMILESCCCC1CCN(C(CN)c2cc(Br)c(Br)o2)CC1
InChIInChI=1S/C14H22Br2N2O/c1-2-3-10-4-6-18(7-5-10)12(9-17)13-8-11(15)14(16)19-13/h8,10,12H,2-7,9,17H2,1H3
InChIKeyIFSAKPWCWVKCHL-UHFFFAOYSA-N
XLogP4.32
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.15
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5-dibromofuran-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 55032552
2-(4,5-dibromofuran-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63972477
2-(4,5-dibromofuran-2-yl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 62085064
2-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 55050220
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 102839070
2-(2,5-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62199615
2-(3-chloro-4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 81144547
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4,5-dibromofuran-2-yl)ethanamine
CID 65319036
2-(4,5-dibromofuran-2-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
CID 62887499
2-(4,5-dibromofuran-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 62084695
2-(4-bromo-3-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 81437156
2-(3-bromo-4-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 61420997

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromofuran-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(4,5-dibromofuran-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine (CID 62198718) is 2-(4,5-dibromofuran-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4,5-dibromofuran-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(4,5-dibromofuran-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine is CCCC1CCN(C(CN)c2cc(Br)c(Br)o2)CC1.
What is the InChIKey of 2-(4,5-dibromofuran-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine?
The InChIKey is IFSAKPWCWVKCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Br2N2O/c1-2-3-10-4-6-18(7-5-10)12(9-17)13-8-11(15)14(16)19-13/h8,10,12H,2-7,9,17H2,1H3.
What are the key properties of 2-(4,5-dibromofuran-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine?
2-(4,5-dibromofuran-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine has a molecular weight of 394.15 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromofuran-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 62198718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).