5-methoxy-2-[(E)-C-methyl-N-[2-(trifluoromethyl)anilino]carbonimidoyl]phenol

C16H15F3N2O2 — CID 135614035

IUPAC5-methoxy-2-[(E)-C-methyl-N-[2-(trifluoromethyl)anilino]carbonimidoyl]phenol
SMILESCOc1ccc(/C(C)=N/Nc2ccccc2C(F)(F)F)c(O)c1
InChIInChI=1S/C16H15F3N2O2/c1-10(12-8-7-11(23-2)9-15(12)22)20-21-14-6-4-3-5-13(14)16(17,18)19/h3-9,21-22H,1-2H3/b20-10+
InChIKeyHXEZYQYMSLEZGQ-KEBDBYFISA-N
MW324.30 g/mol
LogP4.26
Rot. Bonds4

About 5-methoxy-2-[(E)-C-methyl-N-[2-(trifluoromethyl)anilino]carbonimidoyl]phenol

5-methoxy-2-[(E)-C-methyl-N-[2-(trifluoromethyl)anilino]carbonimidoyl]phenol (PubChem CID 135614035) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 5-methoxy-2-[(E)-C-methyl-N-[2-(trifluoromethyl)anilino]carbonimidoyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[(E)-C-methyl-N-[2-(trifluoromethyl)anilino]carbonimidoyl]phenol
PubChem CID135614035
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name5-methoxy-2-[(E)-C-methyl-N-[2-(trifluoromethyl)anilino]carbonimidoyl]phenol
SMILESCOc1ccc(/C(C)=N/Nc2ccccc2C(F)(F)F)c(O)c1
InChIInChI=1S/C16H15F3N2O2/c1-10(12-8-7-11(23-2)9-15(12)22)20-21-14-6-4-3-5-13(14)16(17,18)19/h3-9,21-22H,1-2H3/b20-10+
InChIKeyHXEZYQYMSLEZGQ-KEBDBYFISA-N
XLogP4.26
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-[(E)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]phenol
CID 135846545
2-(trifluoromethyl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]aniline
CID 7066795
2-[(E)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-5-methoxyphenol;hydrochloride
CID 135675803
N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide
CID 135767611
2-bromo-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]aniline
CID 2827315
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol
CID 137082808
N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 135685177
2-hydroxy-4-methoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 38254330
2-[(E)-N-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-C-methylcarbonimidoyl]-5-methoxyphenol
CID 135770959
3-[2-[1-(2-hydroxy-4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135478995
1-ethyl-3-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiourea
CID 135751899
2-hydroxy-4-methoxy-N-[(Z)-1-phenylethylideneamino]benzamide
CID 126396445

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(E)-C-methyl-N-[2-(trifluoromethyl)anilino]carbonimidoyl]phenol?
The IUPAC name of 5-methoxy-2-[(E)-C-methyl-N-[2-(trifluoromethyl)anilino]carbonimidoyl]phenol (CID 135614035) is 5-methoxy-2-[(E)-C-methyl-N-[2-(trifluoromethyl)anilino]carbonimidoyl]phenol.
What is the SMILES notation for 5-methoxy-2-[(E)-C-methyl-N-[2-(trifluoromethyl)anilino]carbonimidoyl]phenol?
The canonical SMILES for 5-methoxy-2-[(E)-C-methyl-N-[2-(trifluoromethyl)anilino]carbonimidoyl]phenol is COc1ccc(/C(C)=N/Nc2ccccc2C(F)(F)F)c(O)c1.
What is the InChIKey of 5-methoxy-2-[(E)-C-methyl-N-[2-(trifluoromethyl)anilino]carbonimidoyl]phenol?
The InChIKey is HXEZYQYMSLEZGQ-KEBDBYFISA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-10(12-8-7-11(23-2)9-15(12)22)20-21-14-6-4-3-5-13(14)16(17,18)19/h3-9,21-22H,1-2H3/b20-10+.
What are the key properties of 5-methoxy-2-[(E)-C-methyl-N-[2-(trifluoromethyl)anilino]carbonimidoyl]phenol?
5-methoxy-2-[(E)-C-methyl-N-[2-(trifluoromethyl)anilino]carbonimidoyl]phenol has a molecular weight of 324.30 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(E)-C-methyl-N-[2-(trifluoromethyl)anilino]carbonimidoyl]phenol is sourced from PubChem (CID 135614035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).