(Z)-2-cyclohexa-1,3-dien-1-yl-N-methyl-2-(methylideneamino)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenamine

C18H19F3N2O — CID 143726699

IUPAC(Z)-2-cyclohexa-1,3-dien-1-yl-N-methyl-2-(methylideneamino)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenamine
SMILESC=N/C(C1=CC=CCC1)=C(/NC)OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O/c1-22-16(14-6-4-3-5-7-14)17(23-2)24-12-13-8-10-15(11-9-13)18(19,20)21/h3-4,6,8-11,23H,1,5,7,12H2,2H3/b17-16-
InChIKeyCORWZWAULZLWRF-MSUUIHNZSA-N
MW336.36 g/mol
LogP4.59
Rot. Bonds6

About (Z)-2-cyclohexa-1,3-dien-1-yl-N-methyl-2-(methylideneamino)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenamine

(Z)-2-cyclohexa-1,3-dien-1-yl-N-methyl-2-(methylideneamino)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenamine (PubChem CID 143726699) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is (Z)-2-cyclohexa-1,3-dien-1-yl-N-methyl-2-(methylideneamino)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenamine.

Molecular Properties

Compound Name(Z)-2-cyclohexa-1,3-dien-1-yl-N-methyl-2-(methylideneamino)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenamine
PubChem CID143726699
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name(Z)-2-cyclohexa-1,3-dien-1-yl-N-methyl-2-(methylideneamino)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenamine
SMILESC=N/C(C1=CC=CCC1)=C(/NC)OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O/c1-22-16(14-6-4-3-5-7-14)17(23-2)24-12-13-8-10-15(11-9-13)18(19,20)21/h3-4,6,8-11,23H,1,5,7,12H2,2H3/b17-16-
InChIKeyCORWZWAULZLWRF-MSUUIHNZSA-N
XLogP4.59
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.59
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyclohexa-1,3-dien-1-yl-N-methyl-2-(methylideneamino)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenamine?
The IUPAC name of (Z)-2-cyclohexa-1,3-dien-1-yl-N-methyl-2-(methylideneamino)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenamine (CID 143726699) is (Z)-2-cyclohexa-1,3-dien-1-yl-N-methyl-2-(methylideneamino)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenamine.
What is the SMILES notation for (Z)-2-cyclohexa-1,3-dien-1-yl-N-methyl-2-(methylideneamino)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenamine?
The canonical SMILES for (Z)-2-cyclohexa-1,3-dien-1-yl-N-methyl-2-(methylideneamino)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenamine is C=N/C(C1=CC=CCC1)=C(/NC)OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (Z)-2-cyclohexa-1,3-dien-1-yl-N-methyl-2-(methylideneamino)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenamine?
The InChIKey is CORWZWAULZLWRF-MSUUIHNZSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-22-16(14-6-4-3-5-7-14)17(23-2)24-12-13-8-10-15(11-9-13)18(19,20)21/h3-4,6,8-11,23H,1,5,7,12H2,2H3/b17-16-.
What are the key properties of (Z)-2-cyclohexa-1,3-dien-1-yl-N-methyl-2-(methylideneamino)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenamine?
(Z)-2-cyclohexa-1,3-dien-1-yl-N-methyl-2-(methylideneamino)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenamine has a molecular weight of 336.36 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyclohexa-1,3-dien-1-yl-N-methyl-2-(methylideneamino)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenamine is sourced from PubChem (CID 143726699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).