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

C23H19Cl2F3N2O2 — CID 110841540

IUPACN-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-(trifluoromethyl)aniline
SMILESCCOc1cc(C=NNc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H19Cl2F3N2O2/c1-2-31-22-10-15(13-29-30-19-5-3-4-17(11-19)23(26,27)28)6-9-21(22)32-14-16-7-8-18(24)12-20(16)25/h3-13,30H,2,14H2,1H3
InChIKeyJBSVWETUTJNOCM-UHFFFAOYSA-N
MW483.32 g/mol
LogP7.44
Rot. Bonds8

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

N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-(trifluoromethyl)aniline (PubChem CID 110841540) has the molecular formula C23H19Cl2F3N2O2 and a molecular weight of 483.32 g/mol. Its IUPAC name is N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-(trifluoromethyl)aniline
PubChem CID110841540
Molecular FormulaC23H19Cl2F3N2O2
Molecular Weight483.32 g/mol
Exact Mass482.08
IUPAC NameN-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-(trifluoromethyl)aniline
SMILESCCOc1cc(C=NNc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H19Cl2F3N2O2/c1-2-31-22-10-15(13-29-30-19-5-3-4-17(11-19)23(26,27)28)6-9-21(22)32-14-16-7-8-18(24)12-20(16)25/h3-13,30H,2,14H2,1H3
InChIKeyJBSVWETUTJNOCM-UHFFFAOYSA-N
XLogP7.44
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.32
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethoxy-4-methoxyphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841574
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110338414
2-ethoxy-4-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 136704774
(NZ)-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydroxylamine
CID 5443374
4-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110506064
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-(trifluoromethyl)aniline
CID 110841846
3-chloro-N-[(E)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
CID 110506468
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline
CID 110508899
N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382469
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 96867311
N-[[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-3-(trifluoromethyl)aniline
CID 110841660
1-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-ethylthiourea
CID 6155741

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-(trifluoromethyl)aniline?
The IUPAC name of N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-(trifluoromethyl)aniline (CID 110841540) is N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-(trifluoromethyl)aniline?
The canonical SMILES for N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-(trifluoromethyl)aniline is CCOc1cc(C=NNc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-(trifluoromethyl)aniline?
The InChIKey is JBSVWETUTJNOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2F3N2O2/c1-2-31-22-10-15(13-29-30-19-5-3-4-17(11-19)23(26,27)28)6-9-21(22)32-14-16-7-8-18(24)12-20(16)25/h3-13,30H,2,14H2,1H3.
What are the key properties of N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-(trifluoromethyl)aniline?
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-(trifluoromethyl)aniline has a molecular weight of 483.32 g/mol, XLogP of 7.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 110841540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).