1-(4,5-dibromofuran-2-yl)-N-(1-phenylethyl)ethane-1,2-diamine

C14H16Br2N2O — CID 65193812

IUPAC1-(4,5-dibromofuran-2-yl)-N-(1-phenylethyl)ethane-1,2-diamine
SMILESCC(NC(CN)c1cc(Br)c(Br)o1)c1ccccc1
InChIInChI=1S/C14H16Br2N2O/c1-9(10-5-3-2-4-6-10)18-12(8-17)13-7-11(15)14(16)19-13/h2-7,9,12,18H,8,17H2,1H3
InChIKeyJMGYBHRFSJISSB-UHFFFAOYSA-N
MW388.10 g/mol
LogP4.16
Rot. Bonds5

About 1-(4,5-dibromofuran-2-yl)-N-(1-phenylethyl)ethane-1,2-diamine

1-(4,5-dibromofuran-2-yl)-N-(1-phenylethyl)ethane-1,2-diamine (PubChem CID 65193812) 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-(1-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4,5-dibromofuran-2-yl)-N-(1-phenylethyl)ethane-1,2-diamine
PubChem CID65193812
Molecular FormulaC14H16Br2N2O
Molecular Weight388.10 g/mol
Exact Mass385.96
IUPAC Name1-(4,5-dibromofuran-2-yl)-N-(1-phenylethyl)ethane-1,2-diamine
SMILESCC(NC(CN)c1cc(Br)c(Br)o1)c1ccccc1
InChIInChI=1S/C14H16Br2N2O/c1-9(10-5-3-2-4-6-10)18-12(8-17)13-7-11(15)14(16)19-13/h2-7,9,12,18H,8,17H2,1H3
InChIKeyJMGYBHRFSJISSB-UHFFFAOYSA-N
XLogP4.16
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.10
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-fluorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193601
1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65384977
1-(3,4-dimethylphenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193661
1-(2-chlorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193599
1-[4-(dimethylamino)phenyl]-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193818
(2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-1,2-diamine
CID 52908228
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
1-(4-chloro-2-fluorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 114843231
1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070989
1-(4-bromophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81350988
1-(4-bromophenyl)-N-[(1S)-1-phenylethyl]propan-1-amine
CID 81350927
1-(4,5-dibromofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine
CID 62085737

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromofuran-2-yl)-N-(1-phenylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(4,5-dibromofuran-2-yl)-N-(1-phenylethyl)ethane-1,2-diamine (CID 65193812) is 1-(4,5-dibromofuran-2-yl)-N-(1-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4,5-dibromofuran-2-yl)-N-(1-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4,5-dibromofuran-2-yl)-N-(1-phenylethyl)ethane-1,2-diamine is CC(NC(CN)c1cc(Br)c(Br)o1)c1ccccc1.
What is the InChIKey of 1-(4,5-dibromofuran-2-yl)-N-(1-phenylethyl)ethane-1,2-diamine?
The InChIKey is JMGYBHRFSJISSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2O/c1-9(10-5-3-2-4-6-10)18-12(8-17)13-7-11(15)14(16)19-13/h2-7,9,12,18H,8,17H2,1H3.
What are the key properties of 1-(4,5-dibromofuran-2-yl)-N-(1-phenylethyl)ethane-1,2-diamine?
1-(4,5-dibromofuran-2-yl)-N-(1-phenylethyl)ethane-1,2-diamine has a molecular weight of 388.10 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromofuran-2-yl)-N-(1-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 65193812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).