4-bromo-N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline

C22H19Br2Cl2NO2 — CID 66541783

IUPAC4-bromo-N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline
SMILESCCOc1cc(CNc2ccc(Br)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H19Br2Cl2NO2/c1-2-28-21-9-15(12-27-18-7-4-16(23)5-8-18)19(24)11-22(21)29-13-14-3-6-17(25)10-20(14)26/h3-11,27H,2,12-13H2,1H3
InChIKeyWWOCDXXNXYWBIP-UHFFFAOYSA-N
MW560.11 g/mol
LogP8.11
Rot. Bonds8

About 4-bromo-N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline

4-bromo-N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline (PubChem CID 66541783) has the molecular formula C22H19Br2Cl2NO2 and a molecular weight of 560.11 g/mol. Its IUPAC name is 4-bromo-N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline.

Molecular Properties

Compound Name4-bromo-N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline
PubChem CID66541783
Molecular FormulaC22H19Br2Cl2NO2
Molecular Weight560.11 g/mol
Exact Mass556.92
IUPAC Name4-bromo-N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline
SMILESCCOc1cc(CNc2ccc(Br)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H19Br2Cl2NO2/c1-2-28-21-9-15(12-27-18-7-4-16(23)5-8-18)19(24)11-22(21)29-13-14-3-6-17(25)10-20(14)26/h3-11,27H,2,12-13H2,1H3
InChIKeyWWOCDXXNXYWBIP-UHFFFAOYSA-N
XLogP8.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.11
LogP ≤ 58.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3,5-dichloroaniline
CID 66542018
N-[[2-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-fluoroaniline
CID 66541120
4-bromo-N-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline
CID 66541479
N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]butan-2-amine
CID 66532650
N-[4-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide
CID 66544585
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-methylaniline
CID 66542051
N-[[2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-chloroaniline
CID 66541868
N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]heptan-1-amine
CID 66532640
4-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]benzenesulfonamide
CID 66544745
4-bromo-N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]aniline
CID 66542085
N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 66532679
4-bromo-N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]aniline
CID 66541758

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline?
The IUPAC name of 4-bromo-N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline (CID 66541783) is 4-bromo-N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline.
What is the SMILES notation for 4-bromo-N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline?
The canonical SMILES for 4-bromo-N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline is CCOc1cc(CNc2ccc(Br)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-bromo-N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline?
The InChIKey is WWOCDXXNXYWBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Br2Cl2NO2/c1-2-28-21-9-15(12-27-18-7-4-16(23)5-8-18)19(24)11-22(21)29-13-14-3-6-17(25)10-20(14)26/h3-11,27H,2,12-13H2,1H3.
What are the key properties of 4-bromo-N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline?
4-bromo-N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline has a molecular weight of 560.11 g/mol, XLogP of 8.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline is sourced from PubChem (CID 66541783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).