(2E)-2-[(4-fluorophenyl)methoxyimino]ethanamine

C9H11FN2O — CID 58684291

IUPAC(2E)-2-[(4-fluorophenyl)methoxyimino]ethanamine
SMILESNC/C=N/OCc1ccc(F)cc1
InChIInChI=1S/C9H11FN2O/c10-9-3-1-8(2-4-9)7-13-12-6-5-11/h1-4,6H,5,7,11H2/b12-6+
InChIKeyUISVHIBWWZAMFB-WUXMJOGZSA-N
MW182.20 g/mol
LogP1.29
Rot. Bonds4

About (2E)-2-[(4-fluorophenyl)methoxyimino]ethanamine

(2E)-2-[(4-fluorophenyl)methoxyimino]ethanamine (PubChem CID 58684291) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is (2E)-2-[(4-fluorophenyl)methoxyimino]ethanamine.

Molecular Properties

Compound Name(2E)-2-[(4-fluorophenyl)methoxyimino]ethanamine
PubChem CID58684291
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name(2E)-2-[(4-fluorophenyl)methoxyimino]ethanamine
SMILESNC/C=N/OCc1ccc(F)cc1
InChIInChI=1S/C9H11FN2O/c10-9-3-1-8(2-4-9)7-13-12-6-5-11/h1-4,6H,5,7,11H2/b12-6+
InChIKeyUISVHIBWWZAMFB-WUXMJOGZSA-N
XLogP1.29
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.29
H-Bond Donors ≤ 51
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'}

Analyze (2E)-2-[(4-fluorophenyl)methoxyimino]ethanamine 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 (2E)-2-[(4-fluorophenyl)methoxyimino]ethanamine?
The IUPAC name of (2E)-2-[(4-fluorophenyl)methoxyimino]ethanamine (CID 58684291) is (2E)-2-[(4-fluorophenyl)methoxyimino]ethanamine.
What is the SMILES notation for (2E)-2-[(4-fluorophenyl)methoxyimino]ethanamine?
The canonical SMILES for (2E)-2-[(4-fluorophenyl)methoxyimino]ethanamine is NC/C=N/OCc1ccc(F)cc1.
What is the InChIKey of (2E)-2-[(4-fluorophenyl)methoxyimino]ethanamine?
The InChIKey is UISVHIBWWZAMFB-WUXMJOGZSA-N. The full InChI is InChI=1S/C9H11FN2O/c10-9-3-1-8(2-4-9)7-13-12-6-5-11/h1-4,6H,5,7,11H2/b12-6+.
What are the key properties of (2E)-2-[(4-fluorophenyl)methoxyimino]ethanamine?
(2E)-2-[(4-fluorophenyl)methoxyimino]ethanamine has a molecular weight of 182.20 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-fluorophenyl)methoxyimino]ethanamine is sourced from PubChem (CID 58684291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).