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

C24H28F3NO — CID 141369414

IUPAC(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(3-ethylphenyl)ethanimine
SMILESCCc1cccc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)c1
InChIInChI=1S/C24H28F3NO/c1-3-18-8-7-11-21(14-18)17(2)28-29-16-19-12-13-22(20-9-5-4-6-10-20)23(15-19)24(25,26)27/h7-8,11-15,20H,3-6,9-10,16H2,1-2H3/b28-17+
InChIKeyHNGXZQXJQKMRGL-OGLMXYFKSA-N
MW403.49 g/mol
LogP7.26
Rot. Bonds6

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

(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(3-ethylphenyl)ethanimine (PubChem CID 141369414) has the molecular formula C24H28F3NO and a molecular weight of 403.49 g/mol. Its IUPAC name is (E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(3-ethylphenyl)ethanimine.

Molecular Properties

Compound Name(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(3-ethylphenyl)ethanimine
PubChem CID141369414
Molecular FormulaC24H28F3NO
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(3-ethylphenyl)ethanimine
SMILESCCc1cccc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)c1
InChIInChI=1S/C24H28F3NO/c1-3-18-8-7-11-21(14-18)17(2)28-29-16-19-12-13-22(20-9-5-4-6-10-20)23(15-19)24(25,26)27/h7-8,11-15,20H,3-6,9-10,16H2,1-2H3/b28-17+
InChIKeyHNGXZQXJQKMRGL-OGLMXYFKSA-N
XLogP7.26
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 57.26
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'}

Analyze (E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(3-ethylphenyl)ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(Z)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]benzonitrile
CID 155884396
4-Phenyl-1h-2,3-benzoxazine
CID 269835
Ethanone, 1-[3-ethyl-4-(hydroxymethyl)phenyl]-,O-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl]oxime, (1E)-
CID 123382840
3-Phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 71680803
(Z)-(ethyl N-{[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy}ethanecarboximidate)
CID 126723001
Siponimod Impurity 27
CID 126723004
Isoxazole, 4,5-dihydro-3,4,5-triphenyl-
CID 533750
4-(3,4-difluorophenyl)-1H-2,3-benzoxazine
CID 76316090
4-[3-(trifluoromethyl)phenyl]-1H-2,3-benzoxazine
CID 76319807
4-butyl-3-[4-(trifluoromethyl)phenyl]spiro[4H-1,2-oxazole-5,9'-fluorene]
CID 102460003
(Z)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanimine
CID 152757650
(5S)-5-phenyl-5-(phenylselanylmethyl)-3-[4-(trifluoromethyl)phenyl]-4H-1,2-oxazole
CID 164668272

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(3-ethylphenyl)ethanimine?
The IUPAC name of (E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(3-ethylphenyl)ethanimine (CID 141369414) is (E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(3-ethylphenyl)ethanimine.
What is the SMILES notation for (E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(3-ethylphenyl)ethanimine?
The canonical SMILES for (E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(3-ethylphenyl)ethanimine is CCc1cccc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)c1.
What is the InChIKey of (E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(3-ethylphenyl)ethanimine?
The InChIKey is HNGXZQXJQKMRGL-OGLMXYFKSA-N. The full InChI is InChI=1S/C24H28F3NO/c1-3-18-8-7-11-21(14-18)17(2)28-29-16-19-12-13-22(20-9-5-4-6-10-20)23(15-19)24(25,26)27/h7-8,11-15,20H,3-6,9-10,16H2,1-2H3/b28-17+.
What are the key properties of (E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(3-ethylphenyl)ethanimine?
(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(3-ethylphenyl)ethanimine has a molecular weight of 403.49 g/mol, XLogP of 7.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(3-ethylphenyl)ethanimine is sourced from PubChem (CID 141369414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).