2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline

C14H11Br3ClN — CID 82774723

IUPAC2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline
SMILESCC(Nc1cc(Br)ccc1Br)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H11Br3ClN/c1-8(11-4-2-9(15)6-13(11)18)19-14-7-10(16)3-5-12(14)17/h2-8,19H,1H3
InChIKeyPVDLPZOMCBUSFS-UHFFFAOYSA-N
MW468.41 g/mol
LogP6.80
Rot. Bonds3

About 2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline

2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline (PubChem CID 82774723) has the molecular formula C14H11Br3ClN and a molecular weight of 468.41 g/mol. Its IUPAC name is 2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline.

Molecular Properties

Compound Name2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline
PubChem CID82774723
Molecular FormulaC14H11Br3ClN
Molecular Weight468.41 g/mol
Exact Mass464.81
IUPAC Name2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline
SMILESCC(Nc1cc(Br)ccc1Br)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H11Br3ClN/c1-8(11-4-2-9(15)6-13(11)18)19-14-7-10(16)3-5-12(14)17/h2-8,19H,1H3
InChIKeyPVDLPZOMCBUSFS-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-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline
CID 82774797
4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43347271
2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline
CID 107633412
2,4-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43683199
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylaniline
CID 82761651
5-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591478
2,5-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline
CID 43736741
2,5-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43736793
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dimethylaniline
CID 82774709
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline
CID 82774360
1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 82773923

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline?
The IUPAC name of 2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline (CID 82774723) is 2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline.
What is the SMILES notation for 2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline?
The canonical SMILES for 2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline is CC(Nc1cc(Br)ccc1Br)c1ccc(Br)cc1Cl.
What is the InChIKey of 2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline?
The InChIKey is PVDLPZOMCBUSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br3ClN/c1-8(11-4-2-9(15)6-13(11)18)19-14-7-10(16)3-5-12(14)17/h2-8,19H,1H3.
What are the key properties of 2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline?
2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)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 2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline is sourced from PubChem (CID 82774723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).