N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline

C22H20BrCl2NO — CID 126117021

IUPACN-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1
InChIInChI=1S/C22H20BrCl2NO/c1-2-16-5-3-4-6-21(16)26-13-17-11-19(24)12-20(25)22(17)27-14-15-7-9-18(23)10-8-15/h3-12,26H,2,13-14H2,1H3
InChIKeyXUDOUHFTVWQEPS-UHFFFAOYSA-N
MW465.22 g/mol
LogP7.51
Rot. Bonds7

About N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline

N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline (PubChem CID 126117021) has the molecular formula C22H20BrCl2NO and a molecular weight of 465.22 g/mol. Its IUPAC name is N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline.

Molecular Properties

Compound NameN-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline
PubChem CID126117021
Molecular FormulaC22H20BrCl2NO
Molecular Weight465.22 g/mol
Exact Mass463.01
IUPAC NameN-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1
InChIInChI=1S/C22H20BrCl2NO/c1-2-16-5-3-4-6-21(16)26-13-17-11-19(24)12-20(25)22(17)27-14-15-7-9-18(23)10-8-15/h3-12,26H,2,13-14H2,1H3
InChIKeyXUDOUHFTVWQEPS-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-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-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-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-methylaniline
CID 126124733
N-[[4-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline
CID 126120263
N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]aniline
CID 126122407
N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethylaniline
CID 126121101
N-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]-2-ethylaniline
CID 126122856
N-[[3-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-ethylaniline
CID 126122735
2,4-dichloro-6-[(2-ethylanilino)methyl]phenol
CID 28525259
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-ethylaniline
CID 126121520
1-(bromomethyl)-3,5-dichloro-2-[(4-ethylphenyl)methoxy]benzene
CID 63535878
N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126126081
N-[(3,5-dichlorophenyl)methyl]-2-ethylaniline
CID 54920225
1-[2-[(3-bromophenyl)methoxy]-3,5-dichlorophenyl]-N-methylmethanamine
CID 63501527

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline?
The IUPAC name of N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline (CID 126117021) is N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline.
What is the SMILES notation for N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline?
The canonical SMILES for N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline is CCc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1.
What is the InChIKey of N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline?
The InChIKey is XUDOUHFTVWQEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrCl2NO/c1-2-16-5-3-4-6-21(16)26-13-17-11-19(24)12-20(25)22(17)27-14-15-7-9-18(23)10-8-15/h3-12,26H,2,13-14H2,1H3.
What are the key properties of N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline?
N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-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-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline is sourced from PubChem (CID 126117021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).