(E)-1-(3-ethylphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine

C18H18F3NO — CID 22968889

IUPAC(E)-1-(3-ethylphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
SMILESCCc1cccc(/C(C)=N/OCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H18F3NO/c1-3-14-5-4-6-16(11-14)13(2)22-23-12-15-7-9-17(10-8-15)18(19,20)21/h4-11H,3,12H2,1-2H3/b22-13+
InChIKeyIQHWBOTYDWLVRX-LPYMAVHISA-N
MW321.34 g/mol
LogP5.21
Rot. Bonds5

About (E)-1-(3-ethylphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine

(E)-1-(3-ethylphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine (PubChem CID 22968889) has the molecular formula C18H18F3NO and a molecular weight of 321.34 g/mol. Its IUPAC name is (E)-1-(3-ethylphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine.

Molecular Properties

Compound Name(E)-1-(3-ethylphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
PubChem CID22968889
Molecular FormulaC18H18F3NO
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name(E)-1-(3-ethylphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
SMILESCCc1cccc(/C(C)=N/OCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H18F3NO/c1-3-14-5-4-6-16(11-14)13(2)22-23-12-15-7-9-17(10-8-15)18(19,20)21/h4-11H,3,12H2,1-2H3/b22-13+
InChIKeyIQHWBOTYDWLVRX-LPYMAVHISA-N
XLogP5.21
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.34
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(2R)-2-ethoxy-3-[3-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]propanoic acid
CID 25115332
(E)-1-[3-(1,3-dihydroisoindol-2-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 7084744
(E)-N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine
CID 22968924
2-[3-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]phenyl]acetic acid
CID 59219227
S-[4-(trifluoromethyl)phenyl] 3-[[1-(3,4-dichlorophenyl)ethylideneamino]oxymethyl]benzenecarbothioate
CID 2821573
(E)-1-(4-prop-2-ynoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 118954273
2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]acetonitrile
CID 118238868
(E)-1-[3-(isocyanatomethyl)phenyl]-N-phenylmethoxyethanimine
CID 18388874
3-[5-[C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]pyrimidin-2-yl]propanoic acid
CID 76528400
(NE)-N-[1-(3-ethylphenyl)ethylidene]hydroxylamine
CID 22968888
2,4-dimethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]pentan-3-imine
CID 145436363
(E)-1-[4-(triazol-2-ylmethoxy)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 118248780

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-ethylphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine?
The IUPAC name of (E)-1-(3-ethylphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine (CID 22968889) is (E)-1-(3-ethylphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine.
What is the SMILES notation for (E)-1-(3-ethylphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine?
The canonical SMILES for (E)-1-(3-ethylphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine is CCc1cccc(/C(C)=N/OCc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of (E)-1-(3-ethylphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine?
The InChIKey is IQHWBOTYDWLVRX-LPYMAVHISA-N. The full InChI is InChI=1S/C18H18F3NO/c1-3-14-5-4-6-16(11-14)13(2)22-23-12-15-7-9-17(10-8-15)18(19,20)21/h4-11H,3,12H2,1-2H3/b22-13+.
What are the key properties of (E)-1-(3-ethylphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine?
(E)-1-(3-ethylphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine has a molecular weight of 321.34 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-ethylphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine is sourced from PubChem (CID 22968889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).