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

C22H20Cl2N2O — CID 110841009

IUPACN-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline
SMILESCc1ccc(NN=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1C
InChIInChI=1S/C22H20Cl2N2O/c1-15-6-9-20(10-16(15)2)26-25-13-17-4-3-5-21(11-17)27-14-18-7-8-19(23)12-22(18)24/h3-13,26H,14H2,1-2H3
InChIKeyPEQUEYLASWYFDY-UHFFFAOYSA-N
MW399.32 g/mol
LogP6.64
Rot. Bonds6

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

N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline (PubChem CID 110841009) has the molecular formula C22H20Cl2N2O and a molecular weight of 399.32 g/mol. Its IUPAC name is N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline
PubChem CID110841009
Molecular FormulaC22H20Cl2N2O
Molecular Weight399.32 g/mol
Exact Mass398.10
IUPAC NameN-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline
SMILESCc1ccc(NN=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1C
InChIInChI=1S/C22H20Cl2N2O/c1-15-6-9-20(10-16(15)2)26-25-13-17-4-3-5-21(11-17)27-14-18-7-8-19(23)12-22(18)24/h3-13,26H,14H2,1-2H3
InChIKeyPEQUEYLASWYFDY-UHFFFAOYSA-N
XLogP6.64
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.32
LogP ≤ 56.64
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]-4-fluoroaniline
CID 110840793
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-(trifluoromethyl)aniline
CID 110841846
3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
CID 110842484
[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530136
3-[(2E)-2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136733677
2-[(2Z)-2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 92847211
4-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110506064
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline
CID 110508899
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110338414
N-(4-bromo-2-methylphenyl)-N'-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4191535
3,4-dimethyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110504997
N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110340632

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline?
The IUPAC name of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline (CID 110841009) is N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline.
What is the SMILES notation for N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline?
The canonical SMILES for N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline is Cc1ccc(NN=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1C.
What is the InChIKey of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline?
The InChIKey is PEQUEYLASWYFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O/c1-15-6-9-20(10-16(15)2)26-25-13-17-4-3-5-21(11-17)27-14-18-7-8-19(23)12-22(18)24/h3-13,26H,14H2,1-2H3.
What are the key properties of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline?
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline has a molecular weight of 399.32 g/mol, XLogP of 6.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline is sourced from PubChem (CID 110841009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).