3-chloro-N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-methylaniline

C22H19Cl4NO2 — CID 66540125

IUPAC3-chloro-N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-methylaniline
SMILESCOc1cc(CNc2ccc(C)c(Cl)c2)c(Cl)cc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H19Cl4NO2/c1-13-3-6-17(9-18(13)24)27-11-15-7-21(28-2)22(10-20(15)26)29-12-14-4-5-16(23)8-19(14)25/h3-10,27H,11-12H2,1-2H3
InChIKeyZGVRRBKQBLRTMO-UHFFFAOYSA-N
MW471.21 g/mol
LogP7.81
Rot. Bonds7

About 3-chloro-N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-methylaniline

3-chloro-N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-methylaniline (PubChem CID 66540125) has the molecular formula C22H19Cl4NO2 and a molecular weight of 471.21 g/mol. Its IUPAC name is 3-chloro-N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-methylaniline
PubChem CID66540125
Molecular FormulaC22H19Cl4NO2
Molecular Weight471.21 g/mol
Exact Mass469.02
IUPAC Name3-chloro-N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-methylaniline
SMILESCOc1cc(CNc2ccc(C)c(Cl)c2)c(Cl)cc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H19Cl4NO2/c1-13-3-6-17(9-18(13)24)27-11-15-7-21(28-2)22(10-20(15)26)29-12-14-4-5-16(23)8-19(14)25/h3-10,27H,11-12H2,1-2H3
InChIKeyZGVRRBKQBLRTMO-UHFFFAOYSA-N
XLogP7.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.21
LogP ≤ 57.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-methylaniline with MolForge

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Related Compounds

N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]propan-1-amine
CID 66529661
4-chloro-N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]aniline
CID 66539636
N-[[2-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-3-chloro-4-methylaniline
CID 66543232
N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-fluoroaniline
CID 66540256
3-chloro-N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]-4-fluoroaniline
CID 66541958
N-[(2,4-dichlorophenyl)methyl]-3,4-dimethoxyaniline
CID 742591
N-[[2-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3,4-dimethylaniline
CID 66543083
2-chloro-4-[[2-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]benzoic acid
CID 66540453
N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
CID 66529590
N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3,4-dimethylaniline
CID 66540484
2-chloro-4-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]benzoic acid
CID 66539639
N-[4-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide
CID 66544585

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-methylaniline?
The IUPAC name of 3-chloro-N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-methylaniline (CID 66540125) is 3-chloro-N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-methylaniline.
What is the SMILES notation for 3-chloro-N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-methylaniline?
The canonical SMILES for 3-chloro-N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-methylaniline is COc1cc(CNc2ccc(C)c(Cl)c2)c(Cl)cc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-chloro-N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-methylaniline?
The InChIKey is ZGVRRBKQBLRTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl4NO2/c1-13-3-6-17(9-18(13)24)27-11-15-7-21(28-2)22(10-20(15)26)29-12-14-4-5-16(23)8-19(14)25/h3-10,27H,11-12H2,1-2H3.
What are the key properties of 3-chloro-N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-methylaniline?
3-chloro-N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-methylaniline has a molecular weight of 471.21 g/mol, XLogP of 7.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-methylaniline is sourced from PubChem (CID 66540125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).