(Z)-N-[(4-methoxyphenyl)methoxy]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-imine

C24H18F3NO2 — CID 71620043

IUPAC(Z)-N-[(4-methoxyphenyl)methoxy]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-imine
SMILESCOc1ccc(CO/N=C(\C#Cc2ccccc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C24H18F3NO2/c1-29-22-14-7-19(8-15-22)17-30-28-23(16-9-18-5-3-2-4-6-18)20-10-12-21(13-11-20)24(25,26)27/h2-8,10-15H,17H2,1H3/b28-23+
InChIKeyJNIMCKJXRYSELK-WEMUOSSPSA-N
MW409.41 g/mol
LogP5.69
Rot. Bonds5

About (Z)-N-[(4-methoxyphenyl)methoxy]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-imine

(Z)-N-[(4-methoxyphenyl)methoxy]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-imine (PubChem CID 71620043) has the molecular formula C24H18F3NO2 and a molecular weight of 409.41 g/mol. Its IUPAC name is (Z)-N-[(4-methoxyphenyl)methoxy]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-imine.

Molecular Properties

Compound Name(Z)-N-[(4-methoxyphenyl)methoxy]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-imine
PubChem CID71620043
Molecular FormulaC24H18F3NO2
Molecular Weight409.41 g/mol
Exact Mass409.13
IUPAC Name(Z)-N-[(4-methoxyphenyl)methoxy]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-imine
SMILESCOc1ccc(CO/N=C(\C#Cc2ccccc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C24H18F3NO2/c1-29-22-14-7-19(8-15-22)17-30-28-23(16-9-18-5-3-2-4-6-18)20-10-12-21(13-11-20)24(25,26)27/h2-8,10-15H,17H2,1H3/b28-23+
InChIKeyJNIMCKJXRYSELK-WEMUOSSPSA-N
XLogP5.69
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.41
LogP ≤ 55.69
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-imine
CID 71659055
(E)-1-(4-prop-2-ynoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 118954273
2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]acetonitrile
CID 118238868
(E)-1-[4-(triazol-2-ylmethoxy)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 118248780
(E)-N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine
CID 118954283
N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine
CID 140707689
N-tert-butyl-3-(4-methoxyphenyl)-1-phenylprop-2-yn-1-imine
CID 71659312
1-[[4-[C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]methyl]pyrrolidine-2,5-dione
CID 118954254
1-[[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]methyl]pyrrolidine-2,5-dione
CID 118238893
N-[(4-methoxyphenyl)methyl]-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide
CID 101449414
2,4-dimethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]pentan-3-imine
CID 145436363
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(4-methoxyphenyl)methoxy]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-imine?
The IUPAC name of (Z)-N-[(4-methoxyphenyl)methoxy]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-imine (CID 71620043) is (Z)-N-[(4-methoxyphenyl)methoxy]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-imine.
What is the SMILES notation for (Z)-N-[(4-methoxyphenyl)methoxy]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-imine?
The canonical SMILES for (Z)-N-[(4-methoxyphenyl)methoxy]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-imine is COc1ccc(CO/N=C(\C#Cc2ccccc2)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of (Z)-N-[(4-methoxyphenyl)methoxy]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-imine?
The InChIKey is JNIMCKJXRYSELK-WEMUOSSPSA-N. The full InChI is InChI=1S/C24H18F3NO2/c1-29-22-14-7-19(8-15-22)17-30-28-23(16-9-18-5-3-2-4-6-18)20-10-12-21(13-11-20)24(25,26)27/h2-8,10-15H,17H2,1H3/b28-23+.
What are the key properties of (Z)-N-[(4-methoxyphenyl)methoxy]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-imine?
(Z)-N-[(4-methoxyphenyl)methoxy]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-imine has a molecular weight of 409.41 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(4-methoxyphenyl)methoxy]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-imine is sourced from PubChem (CID 71620043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).