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

C21H17Cl3N2O — CID 110842484

IUPAC3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
SMILESCc1ccc(NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl
InChIInChI=1S/C21H17Cl3N2O/c1-14-2-7-18(11-20(14)23)26-25-12-15-3-8-19(9-4-15)27-13-16-5-6-17(22)10-21(16)24/h2-12,26H,13H2,1H3
InChIKeyGVFYIZDGJAMURI-UHFFFAOYSA-N
MW419.74 g/mol
LogP6.98
Rot. Bonds6

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

3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline (PubChem CID 110842484) has the molecular formula C21H17Cl3N2O and a molecular weight of 419.74 g/mol. Its IUPAC name is 3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
PubChem CID110842484
Molecular FormulaC21H17Cl3N2O
Molecular Weight419.74 g/mol
Exact Mass418.04
IUPAC Name3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
SMILESCc1ccc(NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl
InChIInChI=1S/C21H17Cl3N2O/c1-14-2-7-18(11-20(14)23)26-25-12-15-3-8-19(9-4-15)27-13-16-5-6-17(22)10-21(16)24/h2-12,26H,13H2,1H3
InChIKeyGVFYIZDGJAMURI-UHFFFAOYSA-N
XLogP6.98
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.74
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline
CID 110841009
4-chloro-N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110840727
N-(5-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine
CID 126217320
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline
CID 110508899
[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 1018571
N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382016
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 51061496
N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
CID 110840934
1-(4-chlorophenyl)-N-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine
CID 3137142
4-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110506064
4-chloro-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94847907
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 132896537

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline?
The IUPAC name of 3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline (CID 110842484) is 3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline.
What is the SMILES notation for 3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline?
The canonical SMILES for 3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline is Cc1ccc(NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl.
What is the InChIKey of 3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline?
The InChIKey is GVFYIZDGJAMURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3N2O/c1-14-2-7-18(11-20(14)23)26-25-12-15-3-8-19(9-4-15)27-13-16-5-6-17(22)10-21(16)24/h2-12,26H,13H2,1H3.
What are the key properties of 3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline?
3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline has a molecular weight of 419.74 g/mol, XLogP of 6.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline is sourced from PubChem (CID 110842484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).