2,6-dibromo-3-ethoxy-4-methylaniline

C9H11Br2NO — CID 20504787

IUPAC2,6-dibromo-3-ethoxy-4-methylaniline
SMILESCCOc1c(C)cc(Br)c(N)c1Br
InChIInChI=1S/C9H11Br2NO/c1-3-13-9-5(2)4-6(10)8(12)7(9)11/h4H,3,12H2,1-2H3
InChIKeyLUAGBWXAHMBZAX-UHFFFAOYSA-N
MW309.00 g/mol
LogP3.50
Rot. Bonds2

About 2,6-dibromo-3-ethoxy-4-methylaniline

2,6-dibromo-3-ethoxy-4-methylaniline (PubChem CID 20504787) has the molecular formula C9H11Br2NO and a molecular weight of 309.00 g/mol. Its IUPAC name is 2,6-dibromo-3-ethoxy-4-methylaniline.

Molecular Properties

Compound Name2,6-dibromo-3-ethoxy-4-methylaniline
PubChem CID20504787
Molecular FormulaC9H11Br2NO
Molecular Weight309.00 g/mol
Exact Mass306.92
IUPAC Name2,6-dibromo-3-ethoxy-4-methylaniline
SMILESCCOc1c(C)cc(Br)c(N)c1Br
InChIInChI=1S/C9H11Br2NO/c1-3-13-9-5(2)4-6(10)8(12)7(9)11/h4H,3,12H2,1-2H3
InChIKeyLUAGBWXAHMBZAX-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.00
LogP ≤ 53.50
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-3-ethoxy-4-methylaniline?
The IUPAC name of 2,6-dibromo-3-ethoxy-4-methylaniline (CID 20504787) is 2,6-dibromo-3-ethoxy-4-methylaniline.
What is the SMILES notation for 2,6-dibromo-3-ethoxy-4-methylaniline?
The canonical SMILES for 2,6-dibromo-3-ethoxy-4-methylaniline is CCOc1c(C)cc(Br)c(N)c1Br.
What is the InChIKey of 2,6-dibromo-3-ethoxy-4-methylaniline?
The InChIKey is LUAGBWXAHMBZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2NO/c1-3-13-9-5(2)4-6(10)8(12)7(9)11/h4H,3,12H2,1-2H3.
What are the key properties of 2,6-dibromo-3-ethoxy-4-methylaniline?
2,6-dibromo-3-ethoxy-4-methylaniline has a molecular weight of 309.00 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-3-ethoxy-4-methylaniline is sourced from PubChem (CID 20504787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).