(2E)-2-[2-[[(E)-1-(2-fluorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-1-(methylamino)ethanol

C20H24FN3O3 — CID 166813518

IUPAC(2E)-2-[2-[[(E)-1-(2-fluorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-1-(methylamino)ethanol
SMILESCNC(O)/C(=N/OC)c1cccc(C)c1CO/N=C(\C)c1ccccc1F
InChIInChI=1S/C20H24FN3O3/c1-13-8-7-10-16(19(24-26-4)20(25)22-3)17(13)12-27-23-14(2)15-9-5-6-11-18(15)21/h5-11,20,22,25H,12H2,1-4H3/b23-14+,24-19+
InChIKeyPWGSNANUWJOALD-RGYFEBRMSA-N
MW373.43 g/mol
LogP2.96
Rot. Bonds8

About (2E)-2-[2-[[(E)-1-(2-fluorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-1-(methylamino)ethanol

(2E)-2-[2-[[(E)-1-(2-fluorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-1-(methylamino)ethanol (PubChem CID 166813518) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is (2E)-2-[2-[[(E)-1-(2-fluorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-1-(methylamino)ethanol.

Molecular Properties

Compound Name(2E)-2-[2-[[(E)-1-(2-fluorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-1-(methylamino)ethanol
PubChem CID166813518
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name(2E)-2-[2-[[(E)-1-(2-fluorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-1-(methylamino)ethanol
SMILESCNC(O)/C(=N/OC)c1cccc(C)c1CO/N=C(\C)c1ccccc1F
InChIInChI=1S/C20H24FN3O3/c1-13-8-7-10-16(19(24-26-4)20(25)22-3)17(13)12-27-23-14(2)15-9-5-6-11-18(15)21/h5-11,20,22,25H,12H2,1-4H3/b23-14+,24-19+
InChIKeyPWGSNANUWJOALD-RGYFEBRMSA-N
XLogP2.96
TPSA75.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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

2-[2-[[(E)-1-(2-fluorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetic acid
CID 175357372
methyl (2E)-2-[2-[[(E)-1-(2,3-difluoro-5-methylphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
CID 166815558
methyl (2E)-2-[2-[[(E)-1-(2-fluoro-6-methylphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
CID 157024116
(E)-1-[2-fluoro-4-(trifluoromethoxy)phenyl]-N-[[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]-6-methylphenyl]methoxy]ethanimine
CID 157024503
(Z)-1-(2-fluorophenyl)-N-methoxyethanimine
CID 18416418
(Z)-1-[2-[[(E)-1-(3-fluoro-2-pyridinyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine;formamide
CID 162729209
methyl (2E)-2-[2-[[(E)-1-(3-bromo-2-fluorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
CID 157023853
methyl (2E)-2-[2-[[(E)-1-(2-ethoxyphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
CID 157024244
methyl (2E)-2-[2-[[(E)-1-(2-fluorophenyl)ethylideneamino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 157023984
(2E)-2-methoxyimino-N-methyl-2-[3-methyl-2-[[(E)-1-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
CID 157024147
methyl (2E)-2-methoxyimino-2-[3-methyl-2-[[(E)-1-(3-phenylphenyl)ethylideneamino]oxymethyl]phenyl]acetate
CID 157024030
methyl (2E)-2-methoxyimino-2-[3-methyl-2-[[(E)-1-pyridin-4-ylethylideneamino]oxymethyl]phenyl]acetate
CID 162729279

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2-[[(E)-1-(2-fluorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-1-(methylamino)ethanol?
The IUPAC name of (2E)-2-[2-[[(E)-1-(2-fluorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-1-(methylamino)ethanol (CID 166813518) is (2E)-2-[2-[[(E)-1-(2-fluorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-1-(methylamino)ethanol.
What is the SMILES notation for (2E)-2-[2-[[(E)-1-(2-fluorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-1-(methylamino)ethanol?
The canonical SMILES for (2E)-2-[2-[[(E)-1-(2-fluorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-1-(methylamino)ethanol is CNC(O)/C(=N/OC)c1cccc(C)c1CO/N=C(\C)c1ccccc1F.
What is the InChIKey of (2E)-2-[2-[[(E)-1-(2-fluorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-1-(methylamino)ethanol?
The InChIKey is PWGSNANUWJOALD-RGYFEBRMSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-13-8-7-10-16(19(24-26-4)20(25)22-3)17(13)12-27-23-14(2)15-9-5-6-11-18(15)21/h5-11,20,22,25H,12H2,1-4H3/b23-14+,24-19+.
What are the key properties of (2E)-2-[2-[[(E)-1-(2-fluorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-1-(methylamino)ethanol?
(2E)-2-[2-[[(E)-1-(2-fluorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-1-(methylamino)ethanol has a molecular weight of 373.43 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[2-[[(E)-1-(2-fluorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-1-(methylamino)ethanol is sourced from PubChem (CID 166813518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).