2-(4,5-dibromofuran-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine

C15H16Br2N2O — CID 62084695

IUPAC2-(4,5-dibromofuran-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
SMILESNCC(c1cc(Br)c(Br)o1)N1CCc2ccccc2C1
InChIInChI=1S/C15H16Br2N2O/c16-12-7-14(20-15(12)17)13(8-18)19-6-5-10-3-1-2-4-11(10)9-19/h1-4,7,13H,5-6,8-9,18H2
InChIKeyWNVHCUIVMKEAOL-UHFFFAOYSA-N
MW400.11 g/mol
LogP3.86
Rot. Bonds3

About 2-(4,5-dibromofuran-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine

2-(4,5-dibromofuran-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine (PubChem CID 62084695) has the molecular formula C15H16Br2N2O and a molecular weight of 400.11 g/mol. Its IUPAC name is 2-(4,5-dibromofuran-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4,5-dibromofuran-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
PubChem CID62084695
Molecular FormulaC15H16Br2N2O
Molecular Weight400.11 g/mol
Exact Mass397.96
IUPAC Name2-(4,5-dibromofuran-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
SMILESNCC(c1cc(Br)c(Br)o1)N1CCc2ccccc2C1
InChIInChI=1S/C15H16Br2N2O/c16-12-7-14(20-15(12)17)13(8-18)19-6-5-10-3-1-2-4-11(10)9-19/h1-4,7,13H,5-6,8-9,18H2
InChIKeyWNVHCUIVMKEAOL-UHFFFAOYSA-N
XLogP3.86
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.11
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromofuran-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
The IUPAC name of 2-(4,5-dibromofuran-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine (CID 62084695) is 2-(4,5-dibromofuran-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine.
What is the SMILES notation for 2-(4,5-dibromofuran-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
The canonical SMILES for 2-(4,5-dibromofuran-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine is NCC(c1cc(Br)c(Br)o1)N1CCc2ccccc2C1.
What is the InChIKey of 2-(4,5-dibromofuran-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
The InChIKey is WNVHCUIVMKEAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N2O/c16-12-7-14(20-15(12)17)13(8-18)19-6-5-10-3-1-2-4-11(10)9-19/h1-4,7,13H,5-6,8-9,18H2.
What are the key properties of 2-(4,5-dibromofuran-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
2-(4,5-dibromofuran-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine has a molecular weight of 400.11 g/mol, XLogP of 3.86, 3 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-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine is sourced from PubChem (CID 62084695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).