2,4-dibromo-6-(methyliminomethyl)aniline

C8H8Br2N2 — CID 164843127

IUPAC2,4-dibromo-6-(methyliminomethyl)aniline
SMILESC/N=C/c1cc(Br)cc(Br)c1N
InChIInChI=1S/C8H8Br2N2/c1-12-4-5-2-6(9)3-7(10)8(5)11/h2-4H,11H2,1H3/b12-4+
InChIKeyONTRAVOZRMBLEI-UUILKARUSA-N
MW291.97 g/mol
LogP2.84
Rot. Bonds1

About 2,4-dibromo-6-(methyliminomethyl)aniline

2,4-dibromo-6-(methyliminomethyl)aniline (PubChem CID 164843127) has the molecular formula C8H8Br2N2 and a molecular weight of 291.97 g/mol. Its IUPAC name is 2,4-dibromo-6-(methyliminomethyl)aniline.

Molecular Properties

Compound Name2,4-dibromo-6-(methyliminomethyl)aniline
PubChem CID164843127
Molecular FormulaC8H8Br2N2
Molecular Weight291.97 g/mol
Exact Mass289.91
IUPAC Name2,4-dibromo-6-(methyliminomethyl)aniline
SMILESC/N=C/c1cc(Br)cc(Br)c1N
InChIInChI=1S/C8H8Br2N2/c1-12-4-5-2-6(9)3-7(10)8(5)11/h2-4H,11H2,1H3/b12-4+
InChIKeyONTRAVOZRMBLEI-UUILKARUSA-N
XLogP2.84
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.97
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(methyliminomethyl)aniline?
The IUPAC name of 2,4-dibromo-6-(methyliminomethyl)aniline (CID 164843127) is 2,4-dibromo-6-(methyliminomethyl)aniline.
What is the SMILES notation for 2,4-dibromo-6-(methyliminomethyl)aniline?
The canonical SMILES for 2,4-dibromo-6-(methyliminomethyl)aniline is C/N=C/c1cc(Br)cc(Br)c1N.
What is the InChIKey of 2,4-dibromo-6-(methyliminomethyl)aniline?
The InChIKey is ONTRAVOZRMBLEI-UUILKARUSA-N. The full InChI is InChI=1S/C8H8Br2N2/c1-12-4-5-2-6(9)3-7(10)8(5)11/h2-4H,11H2,1H3/b12-4+.
What are the key properties of 2,4-dibromo-6-(methyliminomethyl)aniline?
2,4-dibromo-6-(methyliminomethyl)aniline has a molecular weight of 291.97 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(methyliminomethyl)aniline is sourced from PubChem (CID 164843127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).