2,6-dibromo-N-(2,4-dibromophenyl)aniline

C12H7Br4N — CID 101290135

IUPAC2,6-dibromo-N-(2,4-dibromophenyl)aniline
SMILESBrc1ccc(Nc2c(Br)cccc2Br)c(Br)c1
InChIInChI=1S/C12H7Br4N/c13-7-4-5-11(10(16)6-7)17-12-8(14)2-1-3-9(12)15/h1-6,17H
InChIKeyNUFRUEYJKRWVLT-UHFFFAOYSA-N
MW484.81 g/mol
LogP6.48
Rot. Bonds2

About 2,6-dibromo-N-(2,4-dibromophenyl)aniline

2,6-dibromo-N-(2,4-dibromophenyl)aniline (PubChem CID 101290135) has the molecular formula C12H7Br4N and a molecular weight of 484.81 g/mol. Its IUPAC name is 2,6-dibromo-N-(2,4-dibromophenyl)aniline.

Molecular Properties

Compound Name2,6-dibromo-N-(2,4-dibromophenyl)aniline
PubChem CID101290135
Molecular FormulaC12H7Br4N
Molecular Weight484.81 g/mol
Exact Mass480.73
IUPAC Name2,6-dibromo-N-(2,4-dibromophenyl)aniline
SMILESBrc1ccc(Nc2c(Br)cccc2Br)c(Br)c1
InChIInChI=1S/C12H7Br4N/c13-7-4-5-11(10(16)6-7)17-12-8(14)2-1-3-9(12)15/h1-6,17H
InChIKeyNUFRUEYJKRWVLT-UHFFFAOYSA-N
XLogP6.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.81
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-N-(2-bromo-6-fluorophenyl)benzene-1,2-diamine
CID 107596728
6-N-(2,4-dibromophenyl)-2-N-methylpyridine-2,6-diamine
CID 80801057
2-chloro-1-N-(2,6-dibromophenyl)benzene-1,4-diamine
CID 107596513
2,5-dibromo-N-(2-bromophenyl)aniline
CID 101290775
3-bromo-4-(2,4-dibromoanilino)benzonitrile
CID 82797505
1-N-(2,6-dibromophenyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 107596454
5-bromo-2-(2,4-dibromoanilino)benzoic acid
CID 12925320
N-(2,4-dibromophenyl)-1H-imidazol-2-amine
CID 106568716
2-N-(2,4-dibromophenyl)-4-fluorobenzene-1,2-diamine
CID 62376625
4-N-(2,4-dibromophenyl)-2-methoxybenzene-1,4-diamine
CID 63670354
3-bromo-N-phenylaniline
CID 14958606
N-(2,4-dibromophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61477483

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-(2,4-dibromophenyl)aniline?
The IUPAC name of 2,6-dibromo-N-(2,4-dibromophenyl)aniline (CID 101290135) is 2,6-dibromo-N-(2,4-dibromophenyl)aniline.
What is the SMILES notation for 2,6-dibromo-N-(2,4-dibromophenyl)aniline?
The canonical SMILES for 2,6-dibromo-N-(2,4-dibromophenyl)aniline is Brc1ccc(Nc2c(Br)cccc2Br)c(Br)c1.
What is the InChIKey of 2,6-dibromo-N-(2,4-dibromophenyl)aniline?
The InChIKey is NUFRUEYJKRWVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br4N/c13-7-4-5-11(10(16)6-7)17-12-8(14)2-1-3-9(12)15/h1-6,17H.
What are the key properties of 2,6-dibromo-N-(2,4-dibromophenyl)aniline?
2,6-dibromo-N-(2,4-dibromophenyl)aniline has a molecular weight of 484.81 g/mol, XLogP of 6.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-(2,4-dibromophenyl)aniline is sourced from PubChem (CID 101290135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).