N'-[2,5-dimethyl-4-[1-(2,2,2-trifluoroethoxyamino)ethenyl]phenyl]-N-ethyl-N-methylmethanimidamide

C16H22F3N3O — CID 91078939

IUPACN'-[2,5-dimethyl-4-[1-(2,2,2-trifluoroethoxyamino)ethenyl]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESC=C(NOCC(F)(F)F)c1cc(C)c(/N=C/N(C)CC)cc1C
InChIInChI=1S/C16H22F3N3O/c1-6-22(5)10-20-15-8-11(2)14(7-12(15)3)13(4)21-23-9-16(17,18)19/h7-8,10,21H,4,6,9H2,1-3,5H3/b20-10+
InChIKeyDRGAVIWTTNHJQJ-KEBDBYFISA-N
MW329.37 g/mol
LogP3.97
Rot. Bonds7

About N'-[2,5-dimethyl-4-[1-(2,2,2-trifluoroethoxyamino)ethenyl]phenyl]-N-ethyl-N-methylmethanimidamide

N'-[2,5-dimethyl-4-[1-(2,2,2-trifluoroethoxyamino)ethenyl]phenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 91078939) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is N'-[2,5-dimethyl-4-[1-(2,2,2-trifluoroethoxyamino)ethenyl]phenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2,5-dimethyl-4-[1-(2,2,2-trifluoroethoxyamino)ethenyl]phenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID91078939
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC NameN'-[2,5-dimethyl-4-[1-(2,2,2-trifluoroethoxyamino)ethenyl]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESC=C(NOCC(F)(F)F)c1cc(C)c(/N=C/N(C)CC)cc1C
InChIInChI=1S/C16H22F3N3O/c1-6-22(5)10-20-15-8-11(2)14(7-12(15)3)13(4)21-23-9-16(17,18)19/h7-8,10,21H,4,6,9H2,1-3,5H3/b20-10+
InChIKeyDRGAVIWTTNHJQJ-KEBDBYFISA-N
XLogP3.97
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[2,5-dimethyl-4-[1-(2,2,2-trifluoroethoxyamino)ethenyl]phenyl]-N-ethyl-N-methylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[2,5-dimethyl-4-[1-(2,2,2-trifluoroethoxyamino)ethenyl]phenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2,5-dimethyl-4-[1-(2,2,2-trifluoroethoxyamino)ethenyl]phenyl]-N-ethyl-N-methylmethanimidamide (CID 91078939) is N'-[2,5-dimethyl-4-[1-(2,2,2-trifluoroethoxyamino)ethenyl]phenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2,5-dimethyl-4-[1-(2,2,2-trifluoroethoxyamino)ethenyl]phenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2,5-dimethyl-4-[1-(2,2,2-trifluoroethoxyamino)ethenyl]phenyl]-N-ethyl-N-methylmethanimidamide is C=C(NOCC(F)(F)F)c1cc(C)c(/N=C/N(C)CC)cc1C.
What is the InChIKey of N'-[2,5-dimethyl-4-[1-(2,2,2-trifluoroethoxyamino)ethenyl]phenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is DRGAVIWTTNHJQJ-KEBDBYFISA-N. The full InChI is InChI=1S/C16H22F3N3O/c1-6-22(5)10-20-15-8-11(2)14(7-12(15)3)13(4)21-23-9-16(17,18)19/h7-8,10,21H,4,6,9H2,1-3,5H3/b20-10+.
What are the key properties of N'-[2,5-dimethyl-4-[1-(2,2,2-trifluoroethoxyamino)ethenyl]phenyl]-N-ethyl-N-methylmethanimidamide?
N'-[2,5-dimethyl-4-[1-(2,2,2-trifluoroethoxyamino)ethenyl]phenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 329.37 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,5-dimethyl-4-[1-(2,2,2-trifluoroethoxyamino)ethenyl]phenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 91078939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).