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

C12H20Br2N2O3 — CID 62085222

IUPAC1-(4,5-dibromofuran-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCN(CCOC)C(CN)c1cc(Br)c(Br)o1
InChIInChI=1S/C12H20Br2N2O3/c1-17-5-3-16(4-6-18-2)10(8-15)11-7-9(13)12(14)19-11/h7,10H,3-6,8,15H2,1-2H3
InChIKeyBBBFADAIZSPSQA-UHFFFAOYSA-N
MW400.11 g/mol
LogP2.40
Rot. Bonds9

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

1-(4,5-dibromofuran-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 62085222) has the molecular formula C12H20Br2N2O3 and a molecular weight of 400.11 g/mol. Its IUPAC name is 1-(4,5-dibromofuran-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4,5-dibromofuran-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
PubChem CID62085222
Molecular FormulaC12H20Br2N2O3
Molecular Weight400.11 g/mol
Exact Mass397.98
IUPAC Name1-(4,5-dibromofuran-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCN(CCOC)C(CN)c1cc(Br)c(Br)o1
InChIInChI=1S/C12H20Br2N2O3/c1-17-5-3-16(4-6-18-2)10(8-15)11-7-9(13)12(14)19-11/h7,10H,3-6,8,15H2,1-2H3
InChIKeyBBBFADAIZSPSQA-UHFFFAOYSA-N
XLogP2.40
TPSA60.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.11
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4,5-dibromofuran-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromofuran-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of 1-(4,5-dibromofuran-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine (CID 62085222) is 1-(4,5-dibromofuran-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4,5-dibromofuran-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4,5-dibromofuran-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine is COCCN(CCOC)C(CN)c1cc(Br)c(Br)o1.
What is the InChIKey of 1-(4,5-dibromofuran-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is BBBFADAIZSPSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20Br2N2O3/c1-17-5-3-16(4-6-18-2)10(8-15)11-7-9(13)12(14)19-11/h7,10H,3-6,8,15H2,1-2H3.
What are the key properties of 1-(4,5-dibromofuran-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine?
1-(4,5-dibromofuran-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 400.11 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromofuran-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 62085222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).