2-[2,6-dibromo-4-(3,3-dibromoprop-2-enoxy)phenoxy]ethanamine

C11H11Br4NO2 — CID 22006865

IUPAC2-[2,6-dibromo-4-(3,3-dibromoprop-2-enoxy)phenoxy]ethanamine
SMILESNCCOc1c(Br)cc(OCC=C(Br)Br)cc1Br
InChIInChI=1S/C11H11Br4NO2/c12-8-5-7(17-3-1-10(14)15)6-9(13)11(8)18-4-2-16/h1,5-6H,2-4,16H2
InChIKeyZDBLXGNVWVABMQ-UHFFFAOYSA-N
MW508.83 g/mol
LogP4.56
Rot. Bonds6

About 2-[2,6-dibromo-4-(3,3-dibromoprop-2-enoxy)phenoxy]ethanamine

2-[2,6-dibromo-4-(3,3-dibromoprop-2-enoxy)phenoxy]ethanamine (PubChem CID 22006865) has the molecular formula C11H11Br4NO2 and a molecular weight of 508.83 g/mol. Its IUPAC name is 2-[2,6-dibromo-4-(3,3-dibromoprop-2-enoxy)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[2,6-dibromo-4-(3,3-dibromoprop-2-enoxy)phenoxy]ethanamine
PubChem CID22006865
Molecular FormulaC11H11Br4NO2
Molecular Weight508.83 g/mol
Exact Mass504.75
IUPAC Name2-[2,6-dibromo-4-(3,3-dibromoprop-2-enoxy)phenoxy]ethanamine
SMILESNCCOc1c(Br)cc(OCC=C(Br)Br)cc1Br
InChIInChI=1S/C11H11Br4NO2/c12-8-5-7(17-3-1-10(14)15)6-9(13)11(8)18-4-2-16/h1,5-6H,2-4,16H2
InChIKeyZDBLXGNVWVABMQ-UHFFFAOYSA-N
XLogP4.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.83
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2,6-dichloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]propan-1-amine
CID 22006787
1-bromo-5-(3,3-dibromoprop-2-enoxy)-3-fluoro-2-methoxybenzene
CID 18725414
N-[3-[2,6-dibromo-4-(3,3-dibromoprop-2-enoxy)phenoxy]propoxy]propan-2-imine
CID 22963493
2-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-methylphenoxy]ethanamine
CID 22006770
5-[4-(3,3-dibromoprop-2-enoxy)-2,6-dimethylphenoxy]pentan-1-amine
CID 22006831
N-[2-[3-[2,6-dibromo-4-(3,3-dibromoprop-2-enoxy)phenoxy]propoxy]ethoxy]propan-2-imine
CID 22963380
1,3-dichloro-2,5-bis(3,3-dibromoprop-2-enoxy)benzene
CID 54158760
N-[6-[2-bromo-4-(3,3-dibromoprop-2-enoxy)-6-fluorophenoxy]hexoxy]propan-2-imine
CID 22963879
2-(3-bromopropoxy)-1-chloro-5-(3,3-dibromoprop-2-enoxy)-3-fluorobenzene
CID 54485733
2-[2-bromo-6-chloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine
CID 21466475
N-[2-[4-(3,3-dibromoprop-2-enoxy)-2,6-difluorophenoxy]ethoxy]propan-2-imine
CID 22963408
N-[4-[2-bromo-4-(3,3-dichloroprop-2-enoxy)-6-fluorophenoxy]butoxy]propan-2-imine
CID 22963632

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dibromo-4-(3,3-dibromoprop-2-enoxy)phenoxy]ethanamine?
The IUPAC name of 2-[2,6-dibromo-4-(3,3-dibromoprop-2-enoxy)phenoxy]ethanamine (CID 22006865) is 2-[2,6-dibromo-4-(3,3-dibromoprop-2-enoxy)phenoxy]ethanamine.
What is the SMILES notation for 2-[2,6-dibromo-4-(3,3-dibromoprop-2-enoxy)phenoxy]ethanamine?
The canonical SMILES for 2-[2,6-dibromo-4-(3,3-dibromoprop-2-enoxy)phenoxy]ethanamine is NCCOc1c(Br)cc(OCC=C(Br)Br)cc1Br.
What is the InChIKey of 2-[2,6-dibromo-4-(3,3-dibromoprop-2-enoxy)phenoxy]ethanamine?
The InChIKey is ZDBLXGNVWVABMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br4NO2/c12-8-5-7(17-3-1-10(14)15)6-9(13)11(8)18-4-2-16/h1,5-6H,2-4,16H2.
What are the key properties of 2-[2,6-dibromo-4-(3,3-dibromoprop-2-enoxy)phenoxy]ethanamine?
2-[2,6-dibromo-4-(3,3-dibromoprop-2-enoxy)phenoxy]ethanamine has a molecular weight of 508.83 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dibromo-4-(3,3-dibromoprop-2-enoxy)phenoxy]ethanamine is sourced from PubChem (CID 22006865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).