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

C21H15Cl2F3N2O — CID 110841846

IUPACN-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NN=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1
InChIInChI=1S/C21H15Cl2F3N2O/c22-17-7-4-15(20(23)11-17)13-29-19-3-1-2-14(10-19)12-27-28-18-8-5-16(6-9-18)21(24,25)26/h1-12,28H,13H2
InChIKeyFACBOSXSDRFSRN-UHFFFAOYSA-N
MW439.26 g/mol
LogP7.04
Rot. Bonds6

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

N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-(trifluoromethyl)aniline (PubChem CID 110841846) has the molecular formula C21H15Cl2F3N2O and a molecular weight of 439.26 g/mol. Its IUPAC name is N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-(trifluoromethyl)aniline
PubChem CID110841846
Molecular FormulaC21H15Cl2F3N2O
Molecular Weight439.26 g/mol
Exact Mass438.05
IUPAC NameN-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NN=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1
InChIInChI=1S/C21H15Cl2F3N2O/c22-17-7-4-15(20(23)11-17)13-29-19-3-1-2-14(10-19)12-27-28-18-8-5-16(6-9-18)21(24,25)26/h1-12,28H,13H2
InChIKeyFACBOSXSDRFSRN-UHFFFAOYSA-N
XLogP7.04
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.26
LogP ≤ 57.04
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]-3,4-dimethylaniline
CID 110841009
[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530136
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-(trifluoromethyl)aniline
CID 110841540
3-[(2E)-2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136733677
4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110841790
N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide
CID 96881597
4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 5115489
3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
CID 110842484
4-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110506064
2-N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 5340657
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline
CID 110508899

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-(trifluoromethyl)aniline?
The IUPAC name of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-(trifluoromethyl)aniline (CID 110841846) is N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-(trifluoromethyl)aniline is FC(F)(F)c1ccc(NN=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1.
What is the InChIKey of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-(trifluoromethyl)aniline?
The InChIKey is FACBOSXSDRFSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2F3N2O/c22-17-7-4-15(20(23)11-17)13-29-19-3-1-2-14(10-19)12-27-28-18-8-5-16(6-9-18)21(24,25)26/h1-12,28H,13H2.
What are the key properties of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-(trifluoromethyl)aniline?
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-(trifluoromethyl)aniline has a molecular weight of 439.26 g/mol, XLogP of 7.04, 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]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 110841846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).