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

C21H17Cl4NO — CID 126123855

IUPAC3-chloro-N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
SMILESCc1c(Cl)cccc1NCc1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C21H17Cl4NO/c1-13-17(23)3-2-4-20(13)26-11-14-5-8-21(19(25)9-14)27-12-15-6-7-16(22)10-18(15)24/h2-10,26H,11-12H2,1H3
InChIKeyOIQAMNREVUWLHK-UHFFFAOYSA-N
MW441.19 g/mol
LogP7.80
Rot. Bonds6

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

3-chloro-N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline (PubChem CID 126123855) has the molecular formula C21H17Cl4NO and a molecular weight of 441.19 g/mol. Its IUPAC name is 3-chloro-N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
PubChem CID126123855
Molecular FormulaC21H17Cl4NO
Molecular Weight441.19 g/mol
Exact Mass439.01
IUPAC Name3-chloro-N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
SMILESCc1c(Cl)cccc1NCc1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C21H17Cl4NO/c1-13-17(23)3-2-4-20(13)26-11-14-5-8-21(19(25)9-14)27-12-15-6-7-16(22)10-18(15)24/h2-10,26H,11-12H2,1H3
InChIKeyOIQAMNREVUWLHK-UHFFFAOYSA-N
XLogP7.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.19
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126118745
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126122980
3-chloro-N-[(3-chloro-4-propoxyphenyl)methyl]-2-methylaniline
CID 126144223
3-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylaniline
CID 126125649
3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methyl]-2-methylaniline
CID 126127342
2-chloro-N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126190527
3-chloro-N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118405
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126116219
2-[2-chloro-4-[(3-chloro-2-methylanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 4684440
3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylaniline
CID 63419437
3-chloro-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118289
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118021

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline?
The IUPAC name of 3-chloro-N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline (CID 126123855) is 3-chloro-N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline.
What is the SMILES notation for 3-chloro-N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline?
The canonical SMILES for 3-chloro-N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline is Cc1c(Cl)cccc1NCc1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline?
The InChIKey is OIQAMNREVUWLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl4NO/c1-13-17(23)3-2-4-20(13)26-11-14-5-8-21(19(25)9-14)27-12-15-6-7-16(22)10-18(15)24/h2-10,26H,11-12H2,1H3.
What are the key properties of 3-chloro-N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline?
3-chloro-N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline has a molecular weight of 441.19 g/mol, XLogP of 7.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline is sourced from PubChem (CID 126123855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).