3,4,6-tribromo-2-methylaniline

C7H6Br3N — CID 164893724

IUPAC3,4,6-tribromo-2-methylaniline
SMILESCc1c(N)c(Br)cc(Br)c1Br
InChIInChI=1S/C7H6Br3N/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,11H2,1H3
InChIKeyGEYHZUNOVOGZEH-UHFFFAOYSA-N
MW343.84 g/mol
LogP3.86
Rot. Bonds

About 3,4,6-tribromo-2-methylaniline

3,4,6-tribromo-2-methylaniline (PubChem CID 164893724) has the molecular formula C7H6Br3N and a molecular weight of 343.84 g/mol. Its IUPAC name is 3,4,6-tribromo-2-methylaniline.

Molecular Properties

Compound Name3,4,6-tribromo-2-methylaniline
PubChem CID164893724
Molecular FormulaC7H6Br3N
Molecular Weight343.84 g/mol
Exact Mass340.81
IUPAC Name3,4,6-tribromo-2-methylaniline
SMILESCc1c(N)c(Br)cc(Br)c1Br
InChIInChI=1S/C7H6Br3N/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,11H2,1H3
InChIKeyGEYHZUNOVOGZEH-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 3,4,6-tribromo-2-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-3,4-difluoro-2-methylaniline
CID 14738850
1,2,5-tribromo-4-iodo-3-methylbenzene
CID 164893725
6-bromo-4-methoxy-2,3-dimethylaniline
CID 151145179
3,4-dibromo-2-methylaniline
CID 19379030
6-bromo-2,3-dimethyl-4-nitroaniline
CID 71650966
3-bromo-4-fluoro-2,6-dimethylaniline;ethane
CID 168927832
(3-amino-2,4,6-tribromophenyl)phosphonic acid
CID 23338623
methyl 2-(3-amino-4,6-dibromo-2-methylphenyl)acetate
CID 134407506
2,4-dibromo-6-methylaniline;dihydrobromide
CID 175177436
2,4,6-tribromo-5-methylbenzene-1,3-diamine
CID 157076540
3-bromo-4-chloro-6-iodo-2-methylaniline
CID 168927967
2,3,4-tribromo-6-(bromomethyl)aniline
CID 175165901

Frequently Asked Questions

What is the IUPAC name of 3,4,6-tribromo-2-methylaniline?
The IUPAC name of 3,4,6-tribromo-2-methylaniline (CID 164893724) is 3,4,6-tribromo-2-methylaniline.
What is the SMILES notation for 3,4,6-tribromo-2-methylaniline?
The canonical SMILES for 3,4,6-tribromo-2-methylaniline is Cc1c(N)c(Br)cc(Br)c1Br.
What is the InChIKey of 3,4,6-tribromo-2-methylaniline?
The InChIKey is GEYHZUNOVOGZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br3N/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,11H2,1H3.
What are the key properties of 3,4,6-tribromo-2-methylaniline?
3,4,6-tribromo-2-methylaniline has a molecular weight of 343.84 g/mol, XLogP of 3.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-tribromo-2-methylaniline is sourced from PubChem (CID 164893724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).