6-bromo-2-ethanimidoyl-3-methylaniline

C9H11BrN2 — CID 177029441

IUPAC6-bromo-2-ethanimidoyl-3-methylaniline
SMILES[H]/N=C(\C)c1c(C)ccc(Br)c1N
InChIInChI=1S/C9H11BrN2/c1-5-3-4-7(10)9(12)8(5)6(2)11/h3-4,11H,12H2,1-2H3/b11-6+
InChIKeyQLMQGXIWAIXOLI-IZZDOVSWSA-N
MW227.11 g/mol
LogP2.73
Rot. Bonds1

About 6-bromo-2-ethanimidoyl-3-methylaniline

6-bromo-2-ethanimidoyl-3-methylaniline (PubChem CID 177029441) has the molecular formula C9H11BrN2 and a molecular weight of 227.11 g/mol. Its IUPAC name is 6-bromo-2-ethanimidoyl-3-methylaniline.

Molecular Properties

Compound Name6-bromo-2-ethanimidoyl-3-methylaniline
PubChem CID177029441
Molecular FormulaC9H11BrN2
Molecular Weight227.11 g/mol
Exact Mass226.01
IUPAC Name6-bromo-2-ethanimidoyl-3-methylaniline
SMILES[H]/N=C(\C)c1c(C)ccc(Br)c1N
InChIInChI=1S/C9H11BrN2/c1-5-3-4-7(10)9(12)8(5)6(2)11/h3-4,11H,12H2,1-2H3/b11-6+
InChIKeyQLMQGXIWAIXOLI-IZZDOVSWSA-N
XLogP2.73
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.11
LogP ≤ 52.73
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'}

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Related Compounds

2-amino-3-bromo-6-methylbenzenethiol
CID 82758794
2-amino-6-bromo-3-methylbenzoic acid
CID 43629002
3,6-dibromobenzene-1,2-diamine
CID 159857959
ethane;2-ethanimidoyl-3-fluoro-4,5-dimethylaniline
CID 176566300
5-bromo-3-ethanimidoylpyrazin-2-amine
CID 143774899
methyl 2-amino-6-bromo-3-methylbenzoate
CID 60836124
6-bromo-4-ethanimidoylpyridin-3-amine
CID 143774873
2-(2-amino-3-fluoro-6-methylphenyl)-2-iminoacetic acid
CID 155206862
1-(6-bromo-2-chloro-3-methylphenyl)ethanone
CID 131313188
2,6-dimethylbenzenecarboximidamide
CID 5047790
2-(3-bromo-4-methylphenyl)ethanimidamide
CID 130663671
4-amino-3-ethanimidoyl-6-methyl-1H-pyridin-2-one
CID 176566776

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethanimidoyl-3-methylaniline?
The IUPAC name of 6-bromo-2-ethanimidoyl-3-methylaniline (CID 177029441) is 6-bromo-2-ethanimidoyl-3-methylaniline.
What is the SMILES notation for 6-bromo-2-ethanimidoyl-3-methylaniline?
The canonical SMILES for 6-bromo-2-ethanimidoyl-3-methylaniline is [H]/N=C(\C)c1c(C)ccc(Br)c1N.
What is the InChIKey of 6-bromo-2-ethanimidoyl-3-methylaniline?
The InChIKey is QLMQGXIWAIXOLI-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H11BrN2/c1-5-3-4-7(10)9(12)8(5)6(2)11/h3-4,11H,12H2,1-2H3/b11-6+.
What are the key properties of 6-bromo-2-ethanimidoyl-3-methylaniline?
6-bromo-2-ethanimidoyl-3-methylaniline has a molecular weight of 227.11 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethanimidoyl-3-methylaniline is sourced from PubChem (CID 177029441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).