2,6-dibromo-4-ethoxyaniline

C8H9Br2NO — CID 14043930

IUPAC2,6-dibromo-4-ethoxyaniline
SMILESCCOc1cc(Br)c(N)c(Br)c1
InChIInChI=1S/C8H9Br2NO/c1-2-12-5-3-6(9)8(11)7(10)4-5/h3-4H,2,11H2,1H3
InChIKeyBPQYLLULCIDZHQ-UHFFFAOYSA-N
MW294.97 g/mol
LogP3.19
Rot. Bonds2

About 2,6-dibromo-4-ethoxyaniline

2,6-dibromo-4-ethoxyaniline (PubChem CID 14043930) has the molecular formula C8H9Br2NO and a molecular weight of 294.97 g/mol. Its IUPAC name is 2,6-dibromo-4-ethoxyaniline.

Molecular Properties

Compound Name2,6-dibromo-4-ethoxyaniline
PubChem CID14043930
Molecular FormulaC8H9Br2NO
Molecular Weight294.97 g/mol
Exact Mass292.91
IUPAC Name2,6-dibromo-4-ethoxyaniline
SMILESCCOc1cc(Br)c(N)c(Br)c1
InChIInChI=1S/C8H9Br2NO/c1-2-12-5-3-6(9)8(11)7(10)4-5/h3-4H,2,11H2,1H3
InChIKeyBPQYLLULCIDZHQ-UHFFFAOYSA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.97
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-ethoxyaniline?
The IUPAC name of 2,6-dibromo-4-ethoxyaniline (CID 14043930) is 2,6-dibromo-4-ethoxyaniline.
What is the SMILES notation for 2,6-dibromo-4-ethoxyaniline?
The canonical SMILES for 2,6-dibromo-4-ethoxyaniline is CCOc1cc(Br)c(N)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-ethoxyaniline?
The InChIKey is BPQYLLULCIDZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2NO/c1-2-12-5-3-6(9)8(11)7(10)4-5/h3-4H,2,11H2,1H3.
What are the key properties of 2,6-dibromo-4-ethoxyaniline?
2,6-dibromo-4-ethoxyaniline has a molecular weight of 294.97 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-ethoxyaniline is sourced from PubChem (CID 14043930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).