1-(4,5-dibromofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine

C14H16Br2N2O — CID 62085737

IUPAC1-(4,5-dibromofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine
SMILESCCN(c1ccccc1)C(CN)c1cc(Br)c(Br)o1
InChIInChI=1S/C14H16Br2N2O/c1-2-18(10-6-4-3-5-7-10)12(9-17)13-8-11(15)14(16)19-13/h3-8,12H,2,9,17H2,1H3
InChIKeyGPVJFHRZYBZBQM-UHFFFAOYSA-N
MW388.10 g/mol
LogP4.33
Rot. Bonds5

About 1-(4,5-dibromofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine

1-(4,5-dibromofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine (PubChem CID 62085737) has the molecular formula C14H16Br2N2O and a molecular weight of 388.10 g/mol. Its IUPAC name is 1-(4,5-dibromofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4,5-dibromofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine
PubChem CID62085737
Molecular FormulaC14H16Br2N2O
Molecular Weight388.10 g/mol
Exact Mass385.96
IUPAC Name1-(4,5-dibromofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine
SMILESCCN(c1ccccc1)C(CN)c1cc(Br)c(Br)o1
InChIInChI=1S/C14H16Br2N2O/c1-2-18(10-6-4-3-5-7-10)12(9-17)13-8-11(15)14(16)19-13/h3-8,12H,2,9,17H2,1H3
InChIKeyGPVJFHRZYBZBQM-UHFFFAOYSA-N
XLogP4.33
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.10
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine?
The IUPAC name of 1-(4,5-dibromofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine (CID 62085737) is 1-(4,5-dibromofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine.
What is the SMILES notation for 1-(4,5-dibromofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine?
The canonical SMILES for 1-(4,5-dibromofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine is CCN(c1ccccc1)C(CN)c1cc(Br)c(Br)o1.
What is the InChIKey of 1-(4,5-dibromofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine?
The InChIKey is GPVJFHRZYBZBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2O/c1-2-18(10-6-4-3-5-7-10)12(9-17)13-8-11(15)14(16)19-13/h3-8,12H,2,9,17H2,1H3.
What are the key properties of 1-(4,5-dibromofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine?
1-(4,5-dibromofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine has a molecular weight of 388.10 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine is sourced from PubChem (CID 62085737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).