(E)-N-ethoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine

C12H14F3NO2 — CID 88957293

IUPAC(E)-N-ethoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine
SMILESCCO/N=C(\C)c1cccc(OC)c1C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-4-18-16-8(2)9-6-5-7-10(17-3)11(9)12(13,14)15/h5-7H,4H2,1-3H3/b16-8+
InChIKeyPJSCGHAUCJARPB-LZYBPNLTSA-N
MW261.24 g/mol
LogP3.47
Rot. Bonds4

About (E)-N-ethoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine

(E)-N-ethoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine (PubChem CID 88957293) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is (E)-N-ethoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound Name(E)-N-ethoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine
PubChem CID88957293
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name(E)-N-ethoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine
SMILESCCO/N=C(\C)c1cccc(OC)c1C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-4-18-16-8(2)9-6-5-7-10(17-3)11(9)12(13,14)15/h5-7H,4H2,1-3H3/b16-8+
InChIKeyPJSCGHAUCJARPB-LZYBPNLTSA-N
XLogP3.47
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 53.47
H-Bond Donors ≤ 50
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-ethoxy-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine
CID 123363492
(E)-N-ethoxy-1-(2-methoxyphenyl)ethanimine
CID 89151360
1-[3-methoxy-2-(trifluoromethyl)phenyl]propan-1-one
CID 134627051
N-[2-[(E)-N-ethoxy-C-methylcarbonimidoyl]-6-methylphenyl]-1,1,1-trifluoromethanesulfonamide
CID 59021094
[2-[(E)-N-ethoxy-C-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxycarbonimidoyl]phenyl] acetate
CID 172973317
(E)-N-ethoxy-1-phenyl-1-[2-(trifluoromethyl)phenyl]methanimine
CID 88957278
(E)-1-[2-(difluoromethoxy)phenyl]-N-[(2-methoxyphenyl)methoxy]ethanimine
CID 154857527
1,1,1-trifluoro-N-[2-methoxy-6-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]methanesulfonamide
CID 25095872
(Z)-N-ethoxy-1-(4-methoxyphenyl)ethanimine
CID 142977776
1-(difluoromethoxy)-3-methoxy-2-(trifluoromethyl)benzene
CID 46311607
2-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]ethanone
CID 84692542
3-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]propan-1-one
CID 117359478

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of (E)-N-ethoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine (CID 88957293) is (E)-N-ethoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for (E)-N-ethoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for (E)-N-ethoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine is CCO/N=C(\C)c1cccc(OC)c1C(F)(F)F.
What is the InChIKey of (E)-N-ethoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is PJSCGHAUCJARPB-LZYBPNLTSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-4-18-16-8(2)9-6-5-7-10(17-3)11(9)12(13,14)15/h5-7H,4H2,1-3H3/b16-8+.
What are the key properties of (E)-N-ethoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine?
(E)-N-ethoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 261.24 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 88957293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).