1-(4-ethoxy-3-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine

C18H18F3NO3 — CID 76854403

IUPAC1-(4-ethoxy-3-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine
SMILESCCOc1ccc(C=NOCc2ccc(C(F)(F)F)cc2)cc1OC
InChIInChI=1S/C18H18F3NO3/c1-3-24-16-9-6-14(10-17(16)23-2)11-22-25-12-13-4-7-15(8-5-13)18(19,20)21/h4-11H,3,12H2,1-2H3
InChIKeyAYJJEENVKDOYTG-UHFFFAOYSA-N
MW353.34 g/mol
LogP4.66
Rot. Bonds7

About 1-(4-ethoxy-3-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine

1-(4-ethoxy-3-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine (PubChem CID 76854403) has the molecular formula C18H18F3NO3 and a molecular weight of 353.34 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine.

Molecular Properties

Compound Name1-(4-ethoxy-3-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine
PubChem CID76854403
Molecular FormulaC18H18F3NO3
Molecular Weight353.34 g/mol
Exact Mass353.12
IUPAC Name1-(4-ethoxy-3-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine
SMILESCCOc1ccc(C=NOCc2ccc(C(F)(F)F)cc2)cc1OC
InChIInChI=1S/C18H18F3NO3/c1-3-24-16-9-6-14(10-17(16)23-2)11-22-25-12-13-4-7-15(8-5-13)18(19,20)21/h4-11H,3,12H2,1-2H3
InChIKeyAYJJEENVKDOYTG-UHFFFAOYSA-N
XLogP4.66
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 54.66
H-Bond Donors ≤ 50
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

1-(4-ethoxy-3-methoxyphenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 76856065
4-[[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile
CID 2444807
(E)-N-[(3-bromo-4-fluorophenyl)methoxy]-1-(4-ethoxy-3-methoxyphenyl)methanimine
CID 60523490
(E)-N-[(4-tert-butylphenyl)methoxy]-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine
CID 6906138
4-[(E)-[4-(trifluoromethyl)phenyl]methoxyiminomethyl]phenol
CID 135580355
N-[(2-chloro-4-fluorophenyl)methoxy]-1-(4-ethoxy-3-methoxyphenyl)methanimine
CID 4850797
(Z)-1-(4-ethoxy-3-methoxyphenyl)-N-[2-(4-ethoxyphenoxy)ethoxy]methanimine
CID 6219023
N-(4-tert-butylphenyl)-2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxyacetamide
CID 7662805
(Z)-N-[(2-fluorophenyl)methoxy]-1-(3-methoxy-4-phenylmethoxyphenyl)methanimine
CID 7669404
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 21229354
4-[[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]benzamide
CID 24605944
(E)-N-[(3-chloro-4-methoxyphenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine
CID 75394681

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine?
The IUPAC name of 1-(4-ethoxy-3-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine (CID 76854403) is 1-(4-ethoxy-3-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine.
What is the SMILES notation for 1-(4-ethoxy-3-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine?
The canonical SMILES for 1-(4-ethoxy-3-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine is CCOc1ccc(C=NOCc2ccc(C(F)(F)F)cc2)cc1OC.
What is the InChIKey of 1-(4-ethoxy-3-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine?
The InChIKey is AYJJEENVKDOYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3/c1-3-24-16-9-6-14(10-17(16)23-2)11-22-25-12-13-4-7-15(8-5-13)18(19,20)21/h4-11H,3,12H2,1-2H3.
What are the key properties of 1-(4-ethoxy-3-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine?
1-(4-ethoxy-3-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine has a molecular weight of 353.34 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine is sourced from PubChem (CID 76854403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).