N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline

C22H20BrCl2NO — CID 126127915

IUPACN-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
SMILESCCc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1
InChIInChI=1S/C22H20BrCl2NO/c1-2-15-3-8-19(9-4-15)26-13-16-5-10-22(20(23)11-16)27-14-17-6-7-18(24)12-21(17)25/h3-12,26H,2,13-14H2,1H3
InChIKeyYWNPEAHIONTNSY-UHFFFAOYSA-N
MW465.22 g/mol
LogP7.51
Rot. Bonds7

About N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline

N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline (PubChem CID 126127915) has the molecular formula C22H20BrCl2NO and a molecular weight of 465.22 g/mol. Its IUPAC name is N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline.

Molecular Properties

Compound NameN-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
PubChem CID126127915
Molecular FormulaC22H20BrCl2NO
Molecular Weight465.22 g/mol
Exact Mass463.01
IUPAC NameN-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
SMILESCCc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1
InChIInChI=1S/C22H20BrCl2NO/c1-2-15-3-8-19(9-4-15)26-13-16-5-10-22(20(23)11-16)27-14-17-6-7-18(24)12-21(17)25/h3-12,26H,2,13-14H2,1H3
InChIKeyYWNPEAHIONTNSY-UHFFFAOYSA-N
XLogP7.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.22
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline 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

N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-ethylaniline
CID 126116089
N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126116306
N-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126123621
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethylaniline
CID 126123231
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-chloroaniline
CID 126183458
N-[[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126116346
4-bromo-N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline
CID 66541783
4-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenol
CID 2200346
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126119858
4-bromo-N-[[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126212611
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126121126
1-[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 63045148

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline?
The IUPAC name of N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline (CID 126127915) is N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline.
What is the SMILES notation for N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline?
The canonical SMILES for N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline is CCc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1.
What is the InChIKey of N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline?
The InChIKey is YWNPEAHIONTNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrCl2NO/c1-2-15-3-8-19(9-4-15)26-13-16-5-10-22(20(23)11-16)27-14-17-6-7-18(24)12-21(17)25/h3-12,26H,2,13-14H2,1H3.
What are the key properties of N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline?
N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline has a molecular weight of 465.22 g/mol, XLogP of 7.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline is sourced from PubChem (CID 126127915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).