4-bromo-N-[1-(4-bromophenyl)ethyl]-2,6-dichloroaniline

C14H11Br2Cl2N — CID 43126639

IUPAC4-bromo-N-[1-(4-bromophenyl)ethyl]-2,6-dichloroaniline
SMILESCC(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H11Br2Cl2N/c1-8(9-2-4-10(15)5-3-9)19-14-12(17)6-11(16)7-13(14)18/h2-8,19H,1H3
InChIKeyICKHUVDDPUNDJH-UHFFFAOYSA-N
MW423.96 g/mol
LogP6.69
Rot. Bonds3

About 4-bromo-N-[1-(4-bromophenyl)ethyl]-2,6-dichloroaniline

4-bromo-N-[1-(4-bromophenyl)ethyl]-2,6-dichloroaniline (PubChem CID 43126639) has the molecular formula C14H11Br2Cl2N and a molecular weight of 423.96 g/mol. Its IUPAC name is 4-bromo-N-[1-(4-bromophenyl)ethyl]-2,6-dichloroaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(4-bromophenyl)ethyl]-2,6-dichloroaniline
PubChem CID43126639
Molecular FormulaC14H11Br2Cl2N
Molecular Weight423.96 g/mol
Exact Mass420.86
IUPAC Name4-bromo-N-[1-(4-bromophenyl)ethyl]-2,6-dichloroaniline
SMILESCC(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H11Br2Cl2N/c1-8(9-2-4-10(15)5-3-9)19-14-12(17)6-11(16)7-13(14)18/h2-8,19H,1H3
InChIKeyICKHUVDDPUNDJH-UHFFFAOYSA-N
XLogP6.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.96
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2,6-dichloro-N-[1-(3,4-dichlorophenyl)ethyl]aniline
CID 63425757
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43347291
N-[1-(4-bromophenyl)ethyl]-4-chloro-3-fluoroaniline
CID 43721439
4-[1-(4-bromo-2-chloroanilino)ethyl]phenol
CID 43347292
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline
CID 43150522
4-bromo-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoroaniline
CID 65469865
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,6-dichloro-4-fluoroaniline
CID 83076232
2-bromo-6-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]-4-fluoroaniline
CID 107610538
N-[1-(4-bromophenyl)ethyl]-2-chloro-5-methoxyaniline
CID 55193327
2,4,6-trichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43126484
2-(4-bromo-2,6-dichloroanilino)-N-tert-butylpropanamide
CID 43126681
4-[1-(2-bromo-6-chloro-4-fluoroanilino)ethyl]benzonitrile
CID 107610420

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(4-bromophenyl)ethyl]-2,6-dichloroaniline?
The IUPAC name of 4-bromo-N-[1-(4-bromophenyl)ethyl]-2,6-dichloroaniline (CID 43126639) is 4-bromo-N-[1-(4-bromophenyl)ethyl]-2,6-dichloroaniline.
What is the SMILES notation for 4-bromo-N-[1-(4-bromophenyl)ethyl]-2,6-dichloroaniline?
The canonical SMILES for 4-bromo-N-[1-(4-bromophenyl)ethyl]-2,6-dichloroaniline is CC(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[1-(4-bromophenyl)ethyl]-2,6-dichloroaniline?
The InChIKey is ICKHUVDDPUNDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2Cl2N/c1-8(9-2-4-10(15)5-3-9)19-14-12(17)6-11(16)7-13(14)18/h2-8,19H,1H3.
What are the key properties of 4-bromo-N-[1-(4-bromophenyl)ethyl]-2,6-dichloroaniline?
4-bromo-N-[1-(4-bromophenyl)ethyl]-2,6-dichloroaniline has a molecular weight of 423.96 g/mol, XLogP of 6.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(4-bromophenyl)ethyl]-2,6-dichloroaniline is sourced from PubChem (CID 43126639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).