N-[3-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)methanimine

C17H16F3NO3 — CID 50885156

IUPACN-[3-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(/C=N/c2cccc(C(F)(F)F)c2)cc(OC)c1OC
InChIInChI=1S/C17H16F3NO3/c1-22-14-7-11(8-15(23-2)16(14)24-3)10-21-13-6-4-5-12(9-13)17(18,19)20/h4-10H,1-3H3/b21-10+
InChIKeyDILIEPOYUYNWLZ-UFFVCSGVSA-N
MW339.31 g/mol
LogP4.48
Rot. Bonds5

About N-[3-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)methanimine

N-[3-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)methanimine (PubChem CID 50885156) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)methanimine
PubChem CID50885156
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC NameN-[3-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(/C=N/c2cccc(C(F)(F)F)c2)cc(OC)c1OC
InChIInChI=1S/C17H16F3NO3/c1-22-14-7-11(8-15(23-2)16(14)24-3)10-21-13-6-4-5-12(9-13)17(18,19)20/h4-10H,1-3H3/b21-10+
InChIKeyDILIEPOYUYNWLZ-UFFVCSGVSA-N
XLogP4.48
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(trifluoromethyl)phenyl]iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol
CID 4526247
4-bromo-2-methoxy-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 1377778
N-(4-phenoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 4505600
1-[3-iodo-5-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-N-phenylmethanimine
CID 126221189
(E)-1-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 17391114
5-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 18229276
1-(4-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine
CID 5077829
1-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)methanimine
CID 23761418
1-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine
CID 4134232
1-(5-methylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine
CID 964575
N-(2,5-difluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 2358363
(E)-N-[3-(trifluoromethyl)phenyl]sulfonyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 39846619

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)methanimine?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)methanimine (CID 50885156) is N-[3-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)methanimine.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)methanimine?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)methanimine is COc1cc(/C=N/c2cccc(C(F)(F)F)c2)cc(OC)c1OC.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)methanimine?
The InChIKey is DILIEPOYUYNWLZ-UFFVCSGVSA-N. The full InChI is InChI=1S/C17H16F3NO3/c1-22-14-7-11(8-15(23-2)16(14)24-3)10-21-13-6-4-5-12(9-13)17(18,19)20/h4-10H,1-3H3/b21-10+.
What are the key properties of N-[3-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)methanimine?
N-[3-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)methanimine has a molecular weight of 339.31 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)methanimine is sourced from PubChem (CID 50885156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).