1-(3-fluorophenyl)-N-(2-phenylmethoxyethylideneamino)ethanimine

C17H17FN2O — CID 174373068

IUPAC1-(3-fluorophenyl)-N-(2-phenylmethoxyethylideneamino)ethanimine
SMILESCC(=NN=CCOCc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C17H17FN2O/c1-14(16-8-5-9-17(18)12-16)20-19-10-11-21-13-15-6-3-2-4-7-15/h2-10,12H,11,13H2,1H3
InChIKeyXUKZPUWSYQTHQG-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.84
Rot. Bonds6

About 1-(3-fluorophenyl)-N-(2-phenylmethoxyethylideneamino)ethanimine

1-(3-fluorophenyl)-N-(2-phenylmethoxyethylideneamino)ethanimine (PubChem CID 174373068) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(2-phenylmethoxyethylideneamino)ethanimine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(2-phenylmethoxyethylideneamino)ethanimine
PubChem CID174373068
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name1-(3-fluorophenyl)-N-(2-phenylmethoxyethylideneamino)ethanimine
SMILESCC(=NN=CCOCc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C17H17FN2O/c1-14(16-8-5-9-17(18)12-16)20-19-10-11-21-13-15-6-3-2-4-7-15/h2-10,12H,11,13H2,1H3
InChIKeyXUKZPUWSYQTHQG-UHFFFAOYSA-N
XLogP3.84
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(2-phenylmethoxyethylideneamino)ethanimine?
The IUPAC name of 1-(3-fluorophenyl)-N-(2-phenylmethoxyethylideneamino)ethanimine (CID 174373068) is 1-(3-fluorophenyl)-N-(2-phenylmethoxyethylideneamino)ethanimine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(2-phenylmethoxyethylideneamino)ethanimine?
The canonical SMILES for 1-(3-fluorophenyl)-N-(2-phenylmethoxyethylideneamino)ethanimine is CC(=NN=CCOCc1ccccc1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(2-phenylmethoxyethylideneamino)ethanimine?
The InChIKey is XUKZPUWSYQTHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-14(16-8-5-9-17(18)12-16)20-19-10-11-21-13-15-6-3-2-4-7-15/h2-10,12H,11,13H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-(2-phenylmethoxyethylideneamino)ethanimine?
1-(3-fluorophenyl)-N-(2-phenylmethoxyethylideneamino)ethanimine has a molecular weight of 284.33 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(2-phenylmethoxyethylideneamino)ethanimine is sourced from PubChem (CID 174373068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).