5-bromo-2-ethanimidoyl-N-methylaniline

C9H11BrN2 — CID 145062110

IUPAC5-bromo-2-ethanimidoyl-N-methylaniline
SMILES[H]/N=C(\C)c1ccc(Br)cc1NC
InChIInChI=1S/C9H11BrN2/c1-6(11)8-4-3-7(10)5-9(8)12-2/h3-5,11-12H,1-2H3/b11-6+
InChIKeyOJEUJWSSJMTSRN-IZZDOVSWSA-N
MW227.11 g/mol
LogP2.88
Rot. Bonds2

About 5-bromo-2-ethanimidoyl-N-methylaniline

5-bromo-2-ethanimidoyl-N-methylaniline (PubChem CID 145062110) has the molecular formula C9H11BrN2 and a molecular weight of 227.11 g/mol. Its IUPAC name is 5-bromo-2-ethanimidoyl-N-methylaniline.

Molecular Properties

Compound Name5-bromo-2-ethanimidoyl-N-methylaniline
PubChem CID145062110
Molecular FormulaC9H11BrN2
Molecular Weight227.11 g/mol
Exact Mass226.01
IUPAC Name5-bromo-2-ethanimidoyl-N-methylaniline
SMILES[H]/N=C(\C)c1ccc(Br)cc1NC
InChIInChI=1S/C9H11BrN2/c1-6(11)8-4-3-7(10)5-9(8)12-2/h3-5,11-12H,1-2H3/b11-6+
InChIKeyOJEUJWSSJMTSRN-IZZDOVSWSA-N
XLogP2.88
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.11
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(methylamino)benzenecarboximidoyl fluoride
CID 145094809
5-tert-butyl-2-ethanimidoyl-N-methylaniline;ethane
CID 144540330
(4-bromo-2-ethanimidoylanilino)thallium;ethane
CID 144844659
4-bromo-2-(methylamino)benzoic acid
CID 13384102
4,5-dichloro-2-ethanimidoyl-N-methylaniline;ethane
CID 144540373
4-bromo-2-chloro-6-ethanimidoyl-N-methylaniline
CID 143308609
1-(4-bromo-2-nitrophenyl)ethanimine
CID 90202118
3-ethanimidoyl-4-(methylamino)benzaldehyde
CID 171520476
4-bromo-2-diazenyl-N-methylaniline
CID 149374593
1-[4-bromo-2-(methylamino)benzenecarboximidoyl]-3-methyl-1-(3-oxopropyl)urea;ethane
CID 177155849
4-bromo-2-(tert-butylamino)benzenecarboximidamide
CID 114904558
4-bromo-2-(propan-2-ylamino)benzenecarboximidoyl iodide
CID 167273660

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethanimidoyl-N-methylaniline?
The IUPAC name of 5-bromo-2-ethanimidoyl-N-methylaniline (CID 145062110) is 5-bromo-2-ethanimidoyl-N-methylaniline.
What is the SMILES notation for 5-bromo-2-ethanimidoyl-N-methylaniline?
The canonical SMILES for 5-bromo-2-ethanimidoyl-N-methylaniline is [H]/N=C(\C)c1ccc(Br)cc1NC.
What is the InChIKey of 5-bromo-2-ethanimidoyl-N-methylaniline?
The InChIKey is OJEUJWSSJMTSRN-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H11BrN2/c1-6(11)8-4-3-7(10)5-9(8)12-2/h3-5,11-12H,1-2H3/b11-6+.
What are the key properties of 5-bromo-2-ethanimidoyl-N-methylaniline?
5-bromo-2-ethanimidoyl-N-methylaniline has a molecular weight of 227.11 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethanimidoyl-N-methylaniline is sourced from PubChem (CID 145062110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).