4,5-dichloro-2-ethanimidoyl-N-methylaniline;ethane

C11H16Cl2N2 — CID 144540373

IUPAC4,5-dichloro-2-ethanimidoyl-N-methylaniline;ethane
SMILESCC.[H]/N=C(\C)c1cc(Cl)c(Cl)cc1NC
InChIInChI=1S/C9H10Cl2N2.C2H6/c1-5(12)6-3-7(10)8(11)4-9(6)13-2;1-2/h3-4,12-13H,1-2H3;1-2H3/b12-5+;
InChIKeyYSKATFVRXLMGKT-NKPNRJPBSA-N
MW247.17 g/mol
LogP4.45
Rot. Bonds2

About 4,5-dichloro-2-ethanimidoyl-N-methylaniline;ethane

4,5-dichloro-2-ethanimidoyl-N-methylaniline;ethane (PubChem CID 144540373) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is 4,5-dichloro-2-ethanimidoyl-N-methylaniline;ethane.

Molecular Properties

Compound Name4,5-dichloro-2-ethanimidoyl-N-methylaniline;ethane
PubChem CID144540373
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC Name4,5-dichloro-2-ethanimidoyl-N-methylaniline;ethane
SMILESCC.[H]/N=C(\C)c1cc(Cl)c(Cl)cc1NC
InChIInChI=1S/C9H10Cl2N2.C2H6/c1-5(12)6-3-7(10)8(11)4-9(6)13-2;1-2/h3-4,12-13H,1-2H3;1-2H3/b12-5+;
InChIKeyYSKATFVRXLMGKT-NKPNRJPBSA-N
XLogP4.45
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 54.45
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

5-tert-butyl-2-ethanimidoyl-N-methylaniline;ethane
CID 144540330
5-bromo-2-ethanimidoyl-N-methylaniline
CID 145062110
4-ethanimidoyl-2-fluoro-5-(methylamino)benzamide
CID 174256186
4-bromo-2-chloro-6-ethanimidoyl-N-methylaniline
CID 143308609
3-ethanimidoyl-4-(methylamino)benzaldehyde
CID 171520476
methyl 4,5-dichloro-2-(methylamino)benzoate
CID 156642662
4-ethanimidoyl-N-methyl-6-(4-methyl-2-pyridinyl)pyridin-3-amine
CID 134289638
2-(4-chloro-2-ethanimidoylanilino)ethanol
CID 144653845
(4-bromo-2-ethanimidoylanilino)thallium;ethane
CID 144844659
2-chloro-6-(trifluoromethyl)benzaldehyde;ethane;methyl 4-ethanimidoyl-3-(methylamino)benzoate
CID 144572449
4-(tert-butyl-ethyl-methyl-λ4-sulfanyl)oxy-2-ethanimidoyl-N-methylaniline
CID 144540394
N-[4,5-dichloro-2-(methylamino)phenyl]-N-methylhydroxylamine
CID 88538409

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-ethanimidoyl-N-methylaniline;ethane?
The IUPAC name of 4,5-dichloro-2-ethanimidoyl-N-methylaniline;ethane (CID 144540373) is 4,5-dichloro-2-ethanimidoyl-N-methylaniline;ethane.
What is the SMILES notation for 4,5-dichloro-2-ethanimidoyl-N-methylaniline;ethane?
The canonical SMILES for 4,5-dichloro-2-ethanimidoyl-N-methylaniline;ethane is CC.[H]/N=C(\C)c1cc(Cl)c(Cl)cc1NC.
What is the InChIKey of 4,5-dichloro-2-ethanimidoyl-N-methylaniline;ethane?
The InChIKey is YSKATFVRXLMGKT-NKPNRJPBSA-N. The full InChI is InChI=1S/C9H10Cl2N2.C2H6/c1-5(12)6-3-7(10)8(11)4-9(6)13-2;1-2/h3-4,12-13H,1-2H3;1-2H3/b12-5+;.
What are the key properties of 4,5-dichloro-2-ethanimidoyl-N-methylaniline;ethane?
4,5-dichloro-2-ethanimidoyl-N-methylaniline;ethane has a molecular weight of 247.17 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-ethanimidoyl-N-methylaniline;ethane is sourced from PubChem (CID 144540373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).