2,4,6-tribromo-5-methylbenzene-1,3-diamine

C7H7Br3N2 — CID 157076540

IUPAC2,4,6-tribromo-5-methylbenzene-1,3-diamine
SMILESCc1c(Br)c(N)c(Br)c(N)c1Br
InChIInChI=1S/C7H7Br3N2/c1-2-3(8)6(11)5(10)7(12)4(2)9/h11-12H2,1H3
InChIKeyDRNHIOATSWIJIE-UHFFFAOYSA-N
MW358.86 g/mol
LogP3.45
Rot. Bonds

About 2,4,6-tribromo-5-methylbenzene-1,3-diamine

2,4,6-tribromo-5-methylbenzene-1,3-diamine (PubChem CID 157076540) has the molecular formula C7H7Br3N2 and a molecular weight of 358.86 g/mol. Its IUPAC name is 2,4,6-tribromo-5-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name2,4,6-tribromo-5-methylbenzene-1,3-diamine
PubChem CID157076540
Molecular FormulaC7H7Br3N2
Molecular Weight358.86 g/mol
Exact Mass355.82
IUPAC Name2,4,6-tribromo-5-methylbenzene-1,3-diamine
SMILESCc1c(Br)c(N)c(Br)c(N)c1Br
InChIInChI=1S/C7H7Br3N2/c1-2-3(8)6(11)5(10)7(12)4(2)9/h11-12H2,1H3
InChIKeyDRNHIOATSWIJIE-UHFFFAOYSA-N
XLogP3.45
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.86
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2,4,6-trifluoro-5-methylaniline
CID 77134473
2,6-dibromo-4-fluoro-3-methoxy-5-methylaniline
CID 134599260
3,4,6-tribromo-2-methylaniline
CID 164893724
2-bromo-6-chloro-4-fluoro-3-methylaniline
CID 56965564
5-bromo-4,6-dimethylpyridine-2,3-diamine
CID 15827793
1,2,3,4,5-pentabromo-6-(2,3,5,6-tetrabromo-4-methylphenyl)benzene
CID 58352120
2,4,6-tribromo-3,5-diiodoaniline
CID 4172413
1,2,4,5-tetrabromo-3,6-dimethylbenzene;1,4-xylene
CID 159795233
5,8-dibromo-2,3-dimethylquinoxaline-6,7-diamine
CID 164530828
2,3,4,5,6-pentamethylaniline;hydrochloride
CID 139747221
4,6-dibromo-7-methyl-2-(4-methylphenyl)-1,3-benzoxazol-5-amine
CID 95910799
3-bromo-4-fluoro-2,6-dimethylaniline;ethane
CID 168927832

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-5-methylbenzene-1,3-diamine?
The IUPAC name of 2,4,6-tribromo-5-methylbenzene-1,3-diamine (CID 157076540) is 2,4,6-tribromo-5-methylbenzene-1,3-diamine.
What is the SMILES notation for 2,4,6-tribromo-5-methylbenzene-1,3-diamine?
The canonical SMILES for 2,4,6-tribromo-5-methylbenzene-1,3-diamine is Cc1c(Br)c(N)c(Br)c(N)c1Br.
What is the InChIKey of 2,4,6-tribromo-5-methylbenzene-1,3-diamine?
The InChIKey is DRNHIOATSWIJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br3N2/c1-2-3(8)6(11)5(10)7(12)4(2)9/h11-12H2,1H3.
What are the key properties of 2,4,6-tribromo-5-methylbenzene-1,3-diamine?
2,4,6-tribromo-5-methylbenzene-1,3-diamine has a molecular weight of 358.86 g/mol, XLogP of 3.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-5-methylbenzene-1,3-diamine is sourced from PubChem (CID 157076540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).