(Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine

C18H17F3N2O — CID 143726728

IUPAC(Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine
SMILESC=N/C(=C(/NC)OCc1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C18H17F3N2O/c1-22-16(13-8-4-3-5-9-13)17(23-2)24-12-14-10-6-7-11-15(14)18(19,20)21/h3-11,23H,1,12H2,2H3/b17-16-
InChIKeyNBXKFZZQTFTEDY-MSUUIHNZSA-N
MW334.34 g/mol
LogP4.47
Rot. Bonds6

About (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine

(Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine (PubChem CID 143726728) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine.

Molecular Properties

Compound Name(Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine
PubChem CID143726728
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name(Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine
SMILESC=N/C(=C(/NC)OCc1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C18H17F3N2O/c1-22-16(13-8-4-3-5-9-13)17(23-2)24-12-14-10-6-7-11-15(14)18(19,20)21/h3-11,23H,1,12H2,2H3/b17-16-
InChIKeyNBXKFZZQTFTEDY-MSUUIHNZSA-N
XLogP4.47
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine 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

N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 143726600
(Z)-2-cyclohexa-1,3-dien-1-yl-N-methyl-2-(methylideneamino)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenamine;2,2,2-trifluoroacetaldehyde
CID 143726698
(Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine;2,2,2-trifluoroacetaldehyde
CID 143726727
2,2,2-trifluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenyl]acetamide
CID 143726730
4-(3,3,4,4,5,5-Hexafluoro-2-phenylcyclopenten-1-yl)-5-methyl-2-phenyl-2,3-dihydro-1,3-oxazole
CID 162575247
2,2-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylethanamine
CID 116788881
N-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazol-5-amine
CID 143726679
(Z)-2-cyclohexa-1,3-dien-1-yl-N-methyl-2-(methylideneamino)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenamine
CID 143726699
(1E)-1-N,3-dimethyl-1-(4-methylphenyl)-2-N-[1-[1-[2-(trifluoromethyl)phenyl]ethoxy]ethenyl]buta-1,3-diene-1,2-diamine
CID 164901351
(1E)-2-N-[1-[1-(2-fluorophenyl)ethoxy]ethenyl]-1-N,3-dimethyl-1-(4-methylphenyl)buta-1,3-diene-1,2-diamine
CID 164901370
tert-butyl N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]carbamate
CID 143726586
(Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenamine;2-propylpentanal
CID 143726712

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine?
The IUPAC name of (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine (CID 143726728) is (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine.
What is the SMILES notation for (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine?
The canonical SMILES for (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine is C=N/C(=C(/NC)OCc1ccccc1C(F)(F)F)c1ccccc1.
What is the InChIKey of (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine?
The InChIKey is NBXKFZZQTFTEDY-MSUUIHNZSA-N. The full InChI is InChI=1S/C18H17F3N2O/c1-22-16(13-8-4-3-5-9-13)17(23-2)24-12-14-10-6-7-11-15(14)18(19,20)21/h3-11,23H,1,12H2,2H3/b17-16-.
What are the key properties of (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine?
(Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine has a molecular weight of 334.34 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine is sourced from PubChem (CID 143726728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).