2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline

C14H12Br3N — CID 43683094

IUPAC2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline
SMILESCC(Nc1ccc(Br)cc1Br)c1ccc(Br)cc1
InChIInChI=1S/C14H12Br3N/c1-9(10-2-4-11(15)5-3-10)18-14-7-6-12(16)8-13(14)17/h2-9,18H,1H3
InChIKeyQBHWUAALLCLEGS-UHFFFAOYSA-N
MW433.97 g/mol
LogP6.15
Rot. Bonds3

About 2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline

2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline (PubChem CID 43683094) has the molecular formula C14H12Br3N and a molecular weight of 433.97 g/mol. Its IUPAC name is 2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline.

Molecular Properties

Compound Name2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline
PubChem CID43683094
Molecular FormulaC14H12Br3N
Molecular Weight433.97 g/mol
Exact Mass430.85
IUPAC Name2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline
SMILESCC(Nc1ccc(Br)cc1Br)c1ccc(Br)cc1
InChIInChI=1S/C14H12Br3N/c1-9(10-2-4-11(15)5-3-10)18-14-7-6-12(16)8-13(14)17/h2-9,18H,1H3
InChIKeyQBHWUAALLCLEGS-UHFFFAOYSA-N
XLogP6.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.97
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dibromo-N-[1-(4-iodophenyl)ethyl]aniline
CID 43780861
2,4-dibromo-N-[1-(4-tert-butylphenyl)ethyl]aniline
CID 63427633
2,4-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline
CID 43683136
3-bromo-4-[1-(4-bromophenyl)ethylamino]benzoic acid
CID 82801715
N-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline
CID 43105030
2,4-dibromo-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43683196
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43347291
3-N-(2,4-dibromophenyl)butane-2,3-diamine
CID 126982948
4-[1-(2-bromo-4-methylanilino)ethyl]phenol
CID 43191244
4-bromo-2-[1-(4-bromophenyl)ethylamino]benzonitrile
CID 114901598
2,4-dibromo-N-[1-(3-nitrophenyl)ethyl]aniline
CID 43226882
2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43736803

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline?
The IUPAC name of 2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline (CID 43683094) is 2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline.
What is the SMILES notation for 2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline?
The canonical SMILES for 2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline is CC(Nc1ccc(Br)cc1Br)c1ccc(Br)cc1.
What is the InChIKey of 2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline?
The InChIKey is QBHWUAALLCLEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br3N/c1-9(10-2-4-11(15)5-3-10)18-14-7-6-12(16)8-13(14)17/h2-9,18H,1H3.
What are the key properties of 2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline?
2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline has a molecular weight of 433.97 g/mol, XLogP of 6.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline is sourced from PubChem (CID 43683094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).