(E)-N-ethyl-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine

C18H16F3N — CID 135078999

IUPAC(E)-N-ethyl-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine
SMILESCC/N=C/C(=C/c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H16F3N/c1-2-22-13-16(15-6-4-3-5-7-15)12-14-8-10-17(11-9-14)18(19,20)21/h3-13H,2H2,1H3/b16-12-,22-13+
InChIKeyDMJPEXZTQYSTMK-BXKXQWCYSA-N
MW303.33 g/mol
LogP5.34
Rot. Bonds4

About (E)-N-ethyl-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine

(E)-N-ethyl-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine (PubChem CID 135078999) has the molecular formula C18H16F3N and a molecular weight of 303.33 g/mol. Its IUPAC name is (E)-N-ethyl-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-ethyl-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine
PubChem CID135078999
Molecular FormulaC18H16F3N
Molecular Weight303.33 g/mol
Exact Mass303.12
IUPAC Name(E)-N-ethyl-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine
SMILESCC/N=C/C(=C/c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H16F3N/c1-2-22-13-16(15-6-4-3-5-7-15)12-14-8-10-17(11-9-14)18(19,20)21/h3-13H,2H2,1H3/b16-12-,22-13+
InChIKeyDMJPEXZTQYSTMK-BXKXQWCYSA-N
XLogP5.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.33
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (E)-N-ethyl-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine 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

Para-tolualdehyde azine
CID 5337805
1,2-Ethanediamine, N1,N2-bis(phenylmethylene)-
CID 66033
(NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclohexen-1-yl]methylidene]hydroxylamine
CID 142575120
(E)-N-[4-(Trifluoromethyl)benzyl]-1-[4-(Trifluoromethyl)phenyl]methanimine
CID 71722599
[(E)-3-(dimethylamino)-2-[4-(4-pentylphenyl)phenyl]prop-2-enylidene]-dimethylazanium
CID 45488530
Phenethylamine, N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctylidene)-
CID 564143
Decylamine, N-benzylidene-
CID 525554
N,N'-Bis-(4-fluorobenzylidene)-ethylenediamine
CID 3300350
N-(2-methyl-1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide
CID 24892271
N-(1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide
CID 24892270
N-(3-Trifluoromethylbenzylidene)methylamine
CID 11019597
N1,N2-Bis((4-methylphenyl)methylene)-1,2-ethanediamine
CID 1809972

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine?
The IUPAC name of (E)-N-ethyl-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine (CID 135078999) is (E)-N-ethyl-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine.
What is the SMILES notation for (E)-N-ethyl-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine?
The canonical SMILES for (E)-N-ethyl-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine is CC/N=C/C(=C/c1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of (E)-N-ethyl-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine?
The InChIKey is DMJPEXZTQYSTMK-BXKXQWCYSA-N. The full InChI is InChI=1S/C18H16F3N/c1-2-22-13-16(15-6-4-3-5-7-15)12-14-8-10-17(11-9-14)18(19,20)21/h3-13H,2H2,1H3/b16-12-,22-13+.
What are the key properties of (E)-N-ethyl-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine?
(E)-N-ethyl-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine has a molecular weight of 303.33 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine is sourced from PubChem (CID 135078999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).