(E)-N-methoxy-1-[2-methyl-6-[4-(trifluoromethoxy)phenyl]phenyl]ethanimine

C17H16F3NO2 — CID 135059516

IUPAC(E)-N-methoxy-1-[2-methyl-6-[4-(trifluoromethoxy)phenyl]phenyl]ethanimine
SMILESCO/N=C(\C)c1c(C)cccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO2/c1-11-5-4-6-15(16(11)12(2)21-22-3)13-7-9-14(10-8-13)23-17(18,19)20/h4-10H,1-3H3/b21-12+
InChIKeyVPUBNGSLHOQQSU-CIAFOILYSA-N
MW323.31 g/mol
LogP4.93
Rot. Bonds4

About (E)-N-methoxy-1-[2-methyl-6-[4-(trifluoromethoxy)phenyl]phenyl]ethanimine

(E)-N-methoxy-1-[2-methyl-6-[4-(trifluoromethoxy)phenyl]phenyl]ethanimine (PubChem CID 135059516) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is (E)-N-methoxy-1-[2-methyl-6-[4-(trifluoromethoxy)phenyl]phenyl]ethanimine.

Molecular Properties

Compound Name(E)-N-methoxy-1-[2-methyl-6-[4-(trifluoromethoxy)phenyl]phenyl]ethanimine
PubChem CID135059516
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name(E)-N-methoxy-1-[2-methyl-6-[4-(trifluoromethoxy)phenyl]phenyl]ethanimine
SMILESCO/N=C(\C)c1c(C)cccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO2/c1-11-5-4-6-15(16(11)12(2)21-22-3)13-7-9-14(10-8-13)23-17(18,19)20/h4-10H,1-3H3/b21-12+
InChIKeyVPUBNGSLHOQQSU-CIAFOILYSA-N
XLogP4.93
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 54.93
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

(5R)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 26433643
(5R)-5-benzyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 71561710
5-benzyl-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole
CID 59544955
1-[(E)-N-hydroxy-C-[2-(4-methoxyphenyl)ethyl]carbonimidoyl]cyclohexan-1-ol
CID 5338694
1,2-bis(4-methoxyphenyl)ethanone O-acetyloxime
CID 5410067
(5R)-3-(4-methoxyphenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 71561837
(5R)-5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 71562094
(5R)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562096
(5R)-3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562210
(3S,3aR,6S)-3-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole
CID 164610531
2-(4-fluorophenoxy)-1-(4-methoxyphenyl)-1-ethanone O-methyloxime
CID 5523604
(1E)-1,2-bis(4-methoxyphenyl)ethanone oxime
CID 5402606

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-1-[2-methyl-6-[4-(trifluoromethoxy)phenyl]phenyl]ethanimine?
The IUPAC name of (E)-N-methoxy-1-[2-methyl-6-[4-(trifluoromethoxy)phenyl]phenyl]ethanimine (CID 135059516) is (E)-N-methoxy-1-[2-methyl-6-[4-(trifluoromethoxy)phenyl]phenyl]ethanimine.
What is the SMILES notation for (E)-N-methoxy-1-[2-methyl-6-[4-(trifluoromethoxy)phenyl]phenyl]ethanimine?
The canonical SMILES for (E)-N-methoxy-1-[2-methyl-6-[4-(trifluoromethoxy)phenyl]phenyl]ethanimine is CO/N=C(\C)c1c(C)cccc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (E)-N-methoxy-1-[2-methyl-6-[4-(trifluoromethoxy)phenyl]phenyl]ethanimine?
The InChIKey is VPUBNGSLHOQQSU-CIAFOILYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-11-5-4-6-15(16(11)12(2)21-22-3)13-7-9-14(10-8-13)23-17(18,19)20/h4-10H,1-3H3/b21-12+.
What are the key properties of (E)-N-methoxy-1-[2-methyl-6-[4-(trifluoromethoxy)phenyl]phenyl]ethanimine?
(E)-N-methoxy-1-[2-methyl-6-[4-(trifluoromethoxy)phenyl]phenyl]ethanimine has a molecular weight of 323.31 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-[2-methyl-6-[4-(trifluoromethoxy)phenyl]phenyl]ethanimine is sourced from PubChem (CID 135059516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).