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

C20H14Cl5NO — CID 126183262

IUPAC4-chloro-N-[[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]aniline
SMILESClc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1
InChIInChI=1S/C20H14Cl5NO/c21-14-3-5-16(6-4-14)26-10-12-7-18(24)20(19(25)8-12)27-11-13-1-2-15(22)9-17(13)23/h1-9,26H,10-11H2
InChIKeyABFYDVARGMHHOF-UHFFFAOYSA-N
MW461.60 g/mol
LogP8.14
Rot. Bonds6

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

4-chloro-N-[[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]aniline (PubChem CID 126183262) has the molecular formula C20H14Cl5NO and a molecular weight of 461.60 g/mol. Its IUPAC name is 4-chloro-N-[[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]aniline
PubChem CID126183262
Molecular FormulaC20H14Cl5NO
Molecular Weight461.60 g/mol
Exact Mass458.95
IUPAC Name4-chloro-N-[[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]aniline
SMILESClc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1
InChIInChI=1S/C20H14Cl5NO/c21-14-3-5-16(6-4-14)26-10-12-7-18(24)20(19(25)8-12)27-11-13-1-2-15(22)9-17(13)23/h1-9,26H,10-11H2
InChIKeyABFYDVARGMHHOF-UHFFFAOYSA-N
XLogP8.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.60
LogP ≤ 58.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethoxyaniline
CID 126127578
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethylaniline
CID 126123231
N-[[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126116346
N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline
CID 126204543
4-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenol
CID 2200346
3,4-dichloro-N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126205943
4-chloro-N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline
CID 126183393
N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126127915
N-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline;hydrochloride
CID 163326279
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-ethylaniline
CID 126116089
3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methyl]aniline
CID 126374154
4-chloro-N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126189717

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]aniline?
The IUPAC name of 4-chloro-N-[[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]aniline (CID 126183262) is 4-chloro-N-[[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]aniline.
What is the SMILES notation for 4-chloro-N-[[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]aniline?
The canonical SMILES for 4-chloro-N-[[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]aniline is Clc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-chloro-N-[[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]aniline?
The InChIKey is ABFYDVARGMHHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl5NO/c21-14-3-5-16(6-4-14)26-10-12-7-18(24)20(19(25)8-12)27-11-13-1-2-15(22)9-17(13)23/h1-9,26H,10-11H2.
What are the key properties of 4-chloro-N-[[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]aniline?
4-chloro-N-[[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]aniline has a molecular weight of 461.60 g/mol, XLogP of 8.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]aniline is sourced from PubChem (CID 126183262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).