1-(4-butylphenyl)-N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]methanimine;N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine

C37H32F10N4O2 — CID 173276638

IUPAC1-(4-butylphenyl)-N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]methanimine;N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine
SMILESCCCCc1ccc(C=NN=Cc2cc(F)c(OC(F)(F)F)c(F)c2)cc1.CCCc1ccc(C=NN=Cc2cc(F)c(OC(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C19H17F5N2O.C18H15F5N2O/c1-2-3-4-13-5-7-14(8-6-13)11-25-26-12-15-9-16(20)18(17(21)10-15)27-19(22,23)24;1-2-3-12-4-6-13(7-5-12)10-24-25-11-14-8-15(19)17(16(20)9-14)26-18(21,22)23/h5-12H,2-4H2,1H3;4-11H,2-3H2,1H3
InChIKeyXWDFNQIRYUUPFV-UHFFFAOYSA-N
MW754.67 g/mol
LogP10.93
Rot. Bonds13

About 1-(4-butylphenyl)-N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]methanimine;N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine

1-(4-butylphenyl)-N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]methanimine;N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine (PubChem CID 173276638) has the molecular formula C37H32F10N4O2 and a molecular weight of 754.67 g/mol. Its IUPAC name is 1-(4-butylphenyl)-N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]methanimine;N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine.

Molecular Properties

Compound Name1-(4-butylphenyl)-N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]methanimine;N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine
PubChem CID173276638
Molecular FormulaC37H32F10N4O2
Molecular Weight754.67 g/mol
Exact Mass754.24
IUPAC Name1-(4-butylphenyl)-N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]methanimine;N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine
SMILESCCCCc1ccc(C=NN=Cc2cc(F)c(OC(F)(F)F)c(F)c2)cc1.CCCc1ccc(C=NN=Cc2cc(F)c(OC(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C19H17F5N2O.C18H15F5N2O/c1-2-3-4-13-5-7-14(8-6-13)11-25-26-12-15-9-16(20)18(17(21)10-15)27-19(22,23)24;1-2-3-12-4-6-13(7-5-12)10-24-25-11-14-8-15(19)17(16(20)9-14)26-18(21,22)23/h5-12H,2-4H2,1H3;4-11H,2-3H2,1H3
InChIKeyXWDFNQIRYUUPFV-UHFFFAOYSA-N
XLogP10.93
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.67
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-butylphenyl)-N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]methanimine;N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine with MolForge

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Related Compounds

(E)-1-(4-butylphenyl)-N-[(E)-(3,5-difluoro-4-methoxyphenyl)methylideneamino]methanimine
CID 19368243
(E)-1-(4-butylphenyl)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine
CID 19368700
1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine
CID 54200575
(E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368311
N-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 54337056
(E)-1-(4-butylphenyl)-N-[(E)-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]methanimine
CID 19368957
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine
CID 54079690
1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine
CID 140983623
N-[(3-fluoro-4-propylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
CID 54117379
(E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368301
(E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368563
(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 19368380

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]methanimine;N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine?
The IUPAC name of 1-(4-butylphenyl)-N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]methanimine;N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine (CID 173276638) is 1-(4-butylphenyl)-N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]methanimine;N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine.
What is the SMILES notation for 1-(4-butylphenyl)-N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]methanimine;N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine?
The canonical SMILES for 1-(4-butylphenyl)-N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]methanimine;N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine is CCCCc1ccc(C=NN=Cc2cc(F)c(OC(F)(F)F)c(F)c2)cc1.CCCc1ccc(C=NN=Cc2cc(F)c(OC(F)(F)F)c(F)c2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]methanimine;N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine?
The InChIKey is XWDFNQIRYUUPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F5N2O.C18H15F5N2O/c1-2-3-4-13-5-7-14(8-6-13)11-25-26-12-15-9-16(20)18(17(21)10-15)27-19(22,23)24;1-2-3-12-4-6-13(7-5-12)10-24-25-11-14-8-15(19)17(16(20)9-14)26-18(21,22)23/h5-12H,2-4H2,1H3;4-11H,2-3H2,1H3.
What are the key properties of 1-(4-butylphenyl)-N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]methanimine;N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine?
1-(4-butylphenyl)-N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]methanimine;N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine has a molecular weight of 754.67 g/mol, XLogP of 10.93, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]methanimine;N-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]-1-(4-propylphenyl)methanimine is sourced from PubChem (CID 173276638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).