4-[(E)-(2-fluorophenyl)methoxyiminomethyl]-N,N-dimethylaniline

C16H17FN2O — CID 66554637

IUPAC4-[(E)-(2-fluorophenyl)methoxyiminomethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=N/OCc2ccccc2F)cc1
InChIInChI=1S/C16H17FN2O/c1-19(2)15-9-7-13(8-10-15)11-18-20-12-14-5-3-4-6-16(14)17/h3-11H,12H2,1-2H3/b18-11+
InChIKeyLABHHRKTFVTVGA-WOJGMQOQSA-N
MW272.32 g/mol
LogP3.44
Rot. Bonds5

About 4-[(E)-(2-fluorophenyl)methoxyiminomethyl]-N,N-dimethylaniline

4-[(E)-(2-fluorophenyl)methoxyiminomethyl]-N,N-dimethylaniline (PubChem CID 66554637) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 4-[(E)-(2-fluorophenyl)methoxyiminomethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-(2-fluorophenyl)methoxyiminomethyl]-N,N-dimethylaniline
PubChem CID66554637
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name4-[(E)-(2-fluorophenyl)methoxyiminomethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=N/OCc2ccccc2F)cc1
InChIInChI=1S/C16H17FN2O/c1-19(2)15-9-7-13(8-10-15)11-18-20-12-14-5-3-4-6-16(14)17/h3-11H,12H2,1-2H3/b18-11+
InChIKeyLABHHRKTFVTVGA-WOJGMQOQSA-N
XLogP3.44
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 4-[(E)-(2-fluorophenyl)methoxyiminomethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-(2-fluorophenyl)methoxyiminomethyl]-N,N-dimethylaniline (CID 66554637) is 4-[(E)-(2-fluorophenyl)methoxyiminomethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-(2-fluorophenyl)methoxyiminomethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-(2-fluorophenyl)methoxyiminomethyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=N/OCc2ccccc2F)cc1.
What is the InChIKey of 4-[(E)-(2-fluorophenyl)methoxyiminomethyl]-N,N-dimethylaniline?
The InChIKey is LABHHRKTFVTVGA-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-19(2)15-9-7-13(8-10-15)11-18-20-12-14-5-3-4-6-16(14)17/h3-11H,12H2,1-2H3/b18-11+.
What are the key properties of 4-[(E)-(2-fluorophenyl)methoxyiminomethyl]-N,N-dimethylaniline?
4-[(E)-(2-fluorophenyl)methoxyiminomethyl]-N,N-dimethylaniline has a molecular weight of 272.32 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(2-fluorophenyl)methoxyiminomethyl]-N,N-dimethylaniline is sourced from PubChem (CID 66554637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).