5-bromo-2-chloro-N-[1-(2,5-dichlorophenyl)ethyl]aniline

C14H11BrCl3N — CID 63478769

IUPAC5-bromo-2-chloro-N-[1-(2,5-dichlorophenyl)ethyl]aniline
SMILESCC(Nc1cc(Br)ccc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11BrCl3N/c1-8(11-7-10(16)3-5-12(11)17)19-14-6-9(15)2-4-13(14)18/h2-8,19H,1H3
InChIKeyNEBVOJUCCNTHQD-UHFFFAOYSA-N
MW379.51 g/mol
LogP6.58
Rot. Bonds3

About 5-bromo-2-chloro-N-[1-(2,5-dichlorophenyl)ethyl]aniline

5-bromo-2-chloro-N-[1-(2,5-dichlorophenyl)ethyl]aniline (PubChem CID 63478769) has the molecular formula C14H11BrCl3N and a molecular weight of 379.51 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[1-(2,5-dichlorophenyl)ethyl]aniline.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[1-(2,5-dichlorophenyl)ethyl]aniline
PubChem CID63478769
Molecular FormulaC14H11BrCl3N
Molecular Weight379.51 g/mol
Exact Mass376.91
IUPAC Name5-bromo-2-chloro-N-[1-(2,5-dichlorophenyl)ethyl]aniline
SMILESCC(Nc1cc(Br)ccc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11BrCl3N/c1-8(11-7-10(16)3-5-12(11)17)19-14-6-9(15)2-4-13(14)18/h2-8,19H,1H3
InChIKeyNEBVOJUCCNTHQD-UHFFFAOYSA-N
XLogP6.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-bromo-2-chloro-N-[1-(2,5-dichlorophenyl)ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43347271
5-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline
CID 63478098
2,4-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43683199
3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline
CID 43095344
5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline
CID 43106131
2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline
CID 82774723
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321
5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline
CID 82963196
5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-2-nitroaniline
CID 65341957
N-[1-(2,5-dichlorophenyl)ethyl]-2-(trifluoromethyl)aniline
CID 43103861
4-bromo-N-[1-(2,5-dichlorophenyl)ethyl]-3-methylaniline
CID 43110743
5-bromo-2-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 63478602

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[1-(2,5-dichlorophenyl)ethyl]aniline?
The IUPAC name of 5-bromo-2-chloro-N-[1-(2,5-dichlorophenyl)ethyl]aniline (CID 63478769) is 5-bromo-2-chloro-N-[1-(2,5-dichlorophenyl)ethyl]aniline.
What is the SMILES notation for 5-bromo-2-chloro-N-[1-(2,5-dichlorophenyl)ethyl]aniline?
The canonical SMILES for 5-bromo-2-chloro-N-[1-(2,5-dichlorophenyl)ethyl]aniline is CC(Nc1cc(Br)ccc1Cl)c1cc(Cl)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[1-(2,5-dichlorophenyl)ethyl]aniline?
The InChIKey is NEBVOJUCCNTHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl3N/c1-8(11-7-10(16)3-5-12(11)17)19-14-6-9(15)2-4-13(14)18/h2-8,19H,1H3.
What are the key properties of 5-bromo-2-chloro-N-[1-(2,5-dichlorophenyl)ethyl]aniline?
5-bromo-2-chloro-N-[1-(2,5-dichlorophenyl)ethyl]aniline has a molecular weight of 379.51 g/mol, XLogP of 6.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[1-(2,5-dichlorophenyl)ethyl]aniline is sourced from PubChem (CID 63478769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).