2-bromo-4-(3,3-dibromoprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline

C72H78Br12Cl6F6N6O6 — CID 54246999

About 2-bromo-4-(3,3-dibromoprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline

2-bromo-4-(3,3-dibromoprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline (PubChem CID 54246999) has the molecular formula C72H78Br12Cl6F6N6O6 and a molecular weight of 2409.01 g/mol. Its IUPAC name is 2-bromo-4-(3,3-dibromoprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline.

Molecular Properties

• Compound Name: 2-bromo-4-(3,3-dibromoprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline
• PubChem CID: 54246999
• Molecular Formula: C72H78Br12Cl6F6N6O6
• Molecular Weight: 2409.01 g/mol
• Exact Mass: 2393.42
• IUPAC Name: 2-bromo-4-(3,3-dibromoprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline
• SMILES: CCCc1cc(OCC=C(Br)Br)cc(Br)c1NC.CCCc1cc(OCC=C(Cl)Cl)cc(Br)c1NC.CCc1cc(OCC=C(Br)Br)cc(Br)c1NC.CCc1cc(OCC=C(Cl)Cl)cc(Br)c1NC.CNc1c(Br)cc(OCC=C(Br)Br)cc1C(F)(F)F.CNc1c(Br)cc(OCC=C(Cl)Cl)cc1C(F)(F)F
• InChI: InChI=1S/C13H16Br3NO.C13H16BrCl2NO.C12H14Br3NO.C12H14BrCl2NO.C11H9Br3F3NO.C11H9BrCl2F3NO/c2*1-3-4-9-7-10(18-6-5-12(15)16)8-11(14)13(9)17-2;2*1-3-8-6-9(17-5-4-11(14)15)7-10(13)12(8)16-2;2*1-18-10-7(11(15,16)17)4-6(5-8(10)12)19-3-2-9(13)14/h2*5,7-8,17H,3-4,6H2,1-2H3;2*4,6-7,16H,3,5H2,1-2H3;2*2,4-5,18H,3H2,1H3
• InChIKey: QTYSRSGMUQMVSH-UHFFFAOYSA-N
• XLogP: 31.14
• TPSA: 127.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 30
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2409.01
LogP ≤ 5	31.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3,3-dibromoprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline?

The IUPAC name of 2-bromo-4-(3,3-dibromoprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline (CID 54246999) is 2-bromo-4-(3,3-dibromoprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline.

What is the SMILES notation for 2-bromo-4-(3,3-dibromoprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline?

The canonical SMILES for 2-bromo-4-(3,3-dibromoprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline is CCCc1cc(OCC=C(Br)Br)cc(Br)c1NC.CCCc1cc(OCC=C(Cl)Cl)cc(Br)c1NC.CCc1cc(OCC=C(Br)Br)cc(Br)c1NC.CCc1cc(OCC=C(Cl)Cl)cc(Br)c1NC.CNc1c(Br)cc(OCC=C(Br)Br)cc1C(F)(F)F.CNc1c(Br)cc(OCC=C(Cl)Cl)cc1C(F)(F)F.

What is the InChIKey of 2-bromo-4-(3,3-dibromoprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline?

The InChIKey is QTYSRSGMUQMVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br3NO.C13H16BrCl2NO.C12H14Br3NO.C12H14BrCl2NO.C11H9Br3F3NO.C11H9BrCl2F3NO/c2*1-3-4-9-7-10(18-6-5-12(15)16)8-11(14)13(9)17-2;2*1-3-8-6-9(17-5-4-11(14)15)7-10(13)12(8)16-2;2*1-18-10-7(11(15,16)17)4-6(5-8(10)12)19-3-2-9(13)14/h2*5,7-8,17H,3-4,6H2,1-2H3;2*4,6-7,16H,3,5H2,1-2H3;2*2,4-5,18H,3H2,1H3.

What are the key properties of 2-bromo-4-(3,3-dibromoprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline?

2-bromo-4-(3,3-dibromoprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline has a molecular weight of 2409.01 g/mol, XLogP of 31.14, 30 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-4-(3,3-dibromoprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dibromoprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-6-ethyl-N-methylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-propylaniline;2-bromo-4-(3,3-dichloroprop-2-enoxy)-N-methyl-6-(trifluoromethyl)aniline is sourced from PubChem (CID 54246999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).