3-bromo-2-methanimidoyl-5-methylaniline

C8H9BrN2 — CID 142352138

IUPAC3-bromo-2-methanimidoyl-5-methylaniline
SMILES[H]/N=C/c1c(N)cc(C)cc1Br
InChIInChI=1S/C8H9BrN2/c1-5-2-7(9)6(4-10)8(11)3-5/h2-4,10H,11H2,1H3/b10-4+
InChIKeyJSKVSDDWJUCVGU-ONNFQVAWSA-N
MW213.08 g/mol
LogP2.34
Rot. Bonds1

About 3-bromo-2-methanimidoyl-5-methylaniline

3-bromo-2-methanimidoyl-5-methylaniline (PubChem CID 142352138) has the molecular formula C8H9BrN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is 3-bromo-2-methanimidoyl-5-methylaniline.

Molecular Properties

Compound Name3-bromo-2-methanimidoyl-5-methylaniline
PubChem CID142352138
Molecular FormulaC8H9BrN2
Molecular Weight213.08 g/mol
Exact Mass211.99
IUPAC Name3-bromo-2-methanimidoyl-5-methylaniline
SMILES[H]/N=C/c1c(N)cc(C)cc1Br
InChIInChI=1S/C8H9BrN2/c1-5-2-7(9)6(4-10)8(11)3-5/h2-4,10H,11H2,1H3/b10-4+
InChIKeyJSKVSDDWJUCVGU-ONNFQVAWSA-N
XLogP2.34
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.08
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-2-methanimidoyl-5-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

2-amino-6-bromo-4-methylbenzaldehyde
CID 131099846
3-bromo-2-methanimidoyl-5-nitroaniline
CID 142352146
ethane;2-methanimidoyl-3,4,5-trimethylaniline
CID 169182413
5-bromo-2-methanimidoyl-3-methoxyaniline
CID 130265419
5-bromo-3-chloro-2-methanimidoylaniline
CID 142525123
2-(2-amino-6-bromo-4-methylphenyl)-3-bromo-5-methylaniline
CID 86037301
6-bromo-4-methanimidoyl-5-methylpyridin-3-amine
CID 155134306
ethyl 3-amino-5-bromo-2-methanimidoylbenzoate
CID 156711204
N-(3-amino-5-bromo-2-methanimidoylphenyl)-4-methylbenzenesulfinamide
CID 143903811
2-methanimidoylbenzene-1,3-diamine
CID 88563224
2-methanimidoyl-4-methyl-6-methylsulfanylaniline;nitroxyl
CID 164573873
(2-amino-3-methanimidoyl-5-methylphenyl) thiohypochlorite
CID 164573702

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methanimidoyl-5-methylaniline?
The IUPAC name of 3-bromo-2-methanimidoyl-5-methylaniline (CID 142352138) is 3-bromo-2-methanimidoyl-5-methylaniline.
What is the SMILES notation for 3-bromo-2-methanimidoyl-5-methylaniline?
The canonical SMILES for 3-bromo-2-methanimidoyl-5-methylaniline is [H]/N=C/c1c(N)cc(C)cc1Br.
What is the InChIKey of 3-bromo-2-methanimidoyl-5-methylaniline?
The InChIKey is JSKVSDDWJUCVGU-ONNFQVAWSA-N. The full InChI is InChI=1S/C8H9BrN2/c1-5-2-7(9)6(4-10)8(11)3-5/h2-4,10H,11H2,1H3/b10-4+.
What are the key properties of 3-bromo-2-methanimidoyl-5-methylaniline?
3-bromo-2-methanimidoyl-5-methylaniline has a molecular weight of 213.08 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methanimidoyl-5-methylaniline is sourced from PubChem (CID 142352138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).