4-bromo-2,6-dichloro-N-[1-(3,4-dichlorophenyl)ethyl]aniline

C14H10BrCl4N — CID 63425757

IUPAC4-bromo-2,6-dichloro-N-[1-(3,4-dichlorophenyl)ethyl]aniline
SMILESCC(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10BrCl4N/c1-7(8-2-3-10(16)11(17)4-8)20-14-12(18)5-9(15)6-13(14)19/h2-7,20H,1H3
InChIKeyLEGKKHURUKHCIC-UHFFFAOYSA-N
MW413.96 g/mol
LogP7.24
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-[1-(3,4-dichlorophenyl)ethyl]aniline

4-bromo-2,6-dichloro-N-[1-(3,4-dichlorophenyl)ethyl]aniline (PubChem CID 63425757) has the molecular formula C14H10BrCl4N and a molecular weight of 413.96 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[1-(3,4-dichlorophenyl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[1-(3,4-dichlorophenyl)ethyl]aniline
PubChem CID63425757
Molecular FormulaC14H10BrCl4N
Molecular Weight413.96 g/mol
Exact Mass410.88
IUPAC Name4-bromo-2,6-dichloro-N-[1-(3,4-dichlorophenyl)ethyl]aniline
SMILESCC(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10BrCl4N/c1-7(8-2-3-10(16)11(17)4-8)20-14-12(18)5-9(15)6-13(14)19/h2-7,20H,1H3
InChIKeyLEGKKHURUKHCIC-UHFFFAOYSA-N
XLogP7.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.96
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[1-(4-bromophenyl)ethyl]-2,6-dichloroaniline
CID 43126639
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylaniline
CID 43729562
2,5-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline
CID 43736741
2,4-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline
CID 43683136
4-bromo-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoroaniline
CID 65469865
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591194
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,6-dichloro-4-fluoroaniline
CID 83076232
4-bromo-2,6-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670284
2-bromo-6-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoroaniline
CID 107610390
2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline
CID 107527068
3-bromo-5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 107951762
4-bromo-2,6-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63750764

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[1-(3,4-dichlorophenyl)ethyl]aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-[1-(3,4-dichlorophenyl)ethyl]aniline (CID 63425757) is 4-bromo-2,6-dichloro-N-[1-(3,4-dichlorophenyl)ethyl]aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[1-(3,4-dichlorophenyl)ethyl]aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[1-(3,4-dichlorophenyl)ethyl]aniline is CC(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[1-(3,4-dichlorophenyl)ethyl]aniline?
The InChIKey is LEGKKHURUKHCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl4N/c1-7(8-2-3-10(16)11(17)4-8)20-14-12(18)5-9(15)6-13(14)19/h2-7,20H,1H3.
What are the key properties of 4-bromo-2,6-dichloro-N-[1-(3,4-dichlorophenyl)ethyl]aniline?
4-bromo-2,6-dichloro-N-[1-(3,4-dichlorophenyl)ethyl]aniline has a molecular weight of 413.96 g/mol, XLogP of 7.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-[1-(3,4-dichlorophenyl)ethyl]aniline is sourced from PubChem (CID 63425757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).