4-bromo-3-chloro-N-[1-(2,4-dibromophenyl)ethyl]aniline

C14H11Br3ClN — CID 107618828

IUPAC4-bromo-3-chloro-N-[1-(2,4-dibromophenyl)ethyl]aniline
SMILESCC(Nc1ccc(Br)c(Cl)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H11Br3ClN/c1-8(11-4-2-9(15)6-13(11)17)19-10-3-5-12(16)14(18)7-10/h2-8,19H,1H3
InChIKeyCBRRXEDOYGELEN-UHFFFAOYSA-N
MW468.41 g/mol
LogP6.80
Rot. Bonds3

About 4-bromo-3-chloro-N-[1-(2,4-dibromophenyl)ethyl]aniline

4-bromo-3-chloro-N-[1-(2,4-dibromophenyl)ethyl]aniline (PubChem CID 107618828) has the molecular formula C14H11Br3ClN and a molecular weight of 468.41 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-[1-(2,4-dibromophenyl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-3-chloro-N-[1-(2,4-dibromophenyl)ethyl]aniline
PubChem CID107618828
Molecular FormulaC14H11Br3ClN
Molecular Weight468.41 g/mol
Exact Mass464.81
IUPAC Name4-bromo-3-chloro-N-[1-(2,4-dibromophenyl)ethyl]aniline
SMILESCC(Nc1ccc(Br)c(Cl)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H11Br3ClN/c1-8(11-4-2-9(15)6-13(11)17)19-10-3-5-12(16)14(18)7-10/h2-8,19H,1H3
InChIKeyCBRRXEDOYGELEN-UHFFFAOYSA-N
XLogP6.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.41
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 107618729
3-bromo-N-[1-(2,4-dibromophenyl)ethyl]-5-methylaniline
CID 107582202
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,4-dimethylaniline
CID 82774264
2-[1-(4-bromo-3-chloroanilino)ethyl]-5-methoxyphenol
CID 107619385
2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline
CID 63425379
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-chloro-3-fluoroaniline
CID 82773327
4-[1-(2,4-dibromophenyl)ethylamino]benzoic acid
CID 60781692
2-[1-(4-bromo-3-chloroanilino)ethyl]-4-fluorophenol
CID 107619041
4-[1-(2,4-dibromophenyl)ethylamino]benzamide
CID 60781228
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline
CID 82774360
2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline
CID 82774723
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dimethylaniline
CID 82774709

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-[1-(2,4-dibromophenyl)ethyl]aniline?
The IUPAC name of 4-bromo-3-chloro-N-[1-(2,4-dibromophenyl)ethyl]aniline (CID 107618828) is 4-bromo-3-chloro-N-[1-(2,4-dibromophenyl)ethyl]aniline.
What is the SMILES notation for 4-bromo-3-chloro-N-[1-(2,4-dibromophenyl)ethyl]aniline?
The canonical SMILES for 4-bromo-3-chloro-N-[1-(2,4-dibromophenyl)ethyl]aniline is CC(Nc1ccc(Br)c(Cl)c1)c1ccc(Br)cc1Br.
What is the InChIKey of 4-bromo-3-chloro-N-[1-(2,4-dibromophenyl)ethyl]aniline?
The InChIKey is CBRRXEDOYGELEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br3ClN/c1-8(11-4-2-9(15)6-13(11)17)19-10-3-5-12(16)14(18)7-10/h2-8,19H,1H3.
What are the key properties of 4-bromo-3-chloro-N-[1-(2,4-dibromophenyl)ethyl]aniline?
4-bromo-3-chloro-N-[1-(2,4-dibromophenyl)ethyl]aniline has a molecular weight of 468.41 g/mol, XLogP of 6.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-[1-(2,4-dibromophenyl)ethyl]aniline is sourced from PubChem (CID 107618828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).