N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline

C22H20Cl3NO — CID 126118745

IUPACN-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1
InChIInChI=1S/C22H20Cl3NO/c1-14-3-4-15(2)21(9-14)26-12-16-5-8-22(20(25)10-16)27-13-17-6-7-18(23)11-19(17)24/h3-11,26H,12-13H2,1-2H3
InChIKeyCPUMLZKSRXHWCM-UHFFFAOYSA-N
MW420.77 g/mol
LogP7.45
Rot. Bonds6

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

N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline (PubChem CID 126118745) has the molecular formula C22H20Cl3NO and a molecular weight of 420.77 g/mol. Its IUPAC name is N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline.

Molecular Properties

Compound NameN-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
PubChem CID126118745
Molecular FormulaC22H20Cl3NO
Molecular Weight420.77 g/mol
Exact Mass419.06
IUPAC NameN-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1
InChIInChI=1S/C22H20Cl3NO/c1-14-3-4-15(2)21(9-14)26-12-16-5-8-22(20(25)10-16)27-13-17-6-7-18(23)11-19(17)24/h3-11,26H,12-13H2,1-2H3
InChIKeyCPUMLZKSRXHWCM-UHFFFAOYSA-N
XLogP7.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.77
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126123855
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126119796
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126119576
1-[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63486921
N-[[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,4-dimethylaniline
CID 126125999
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
CID 4723938
N-[(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 65022563
5-chloro-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylaniline
CID 126121919
N-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126127091
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118021
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126122980
2,6-dichloro-4-[(2,5-dimethylanilino)methyl]phenol
CID 126125728

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline?
The IUPAC name of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline (CID 126118745) is N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline.
What is the SMILES notation for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline?
The canonical SMILES for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline is Cc1ccc(C)c(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1.
What is the InChIKey of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline?
The InChIKey is CPUMLZKSRXHWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl3NO/c1-14-3-4-15(2)21(9-14)26-12-16-5-8-22(20(25)10-16)27-13-17-6-7-18(23)11-19(17)24/h3-11,26H,12-13H2,1-2H3.
What are the key properties of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline?
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline has a molecular weight of 420.77 g/mol, XLogP of 7.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline is sourced from PubChem (CID 126118745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).