2-[(E)-[1-(4-fluorophenyl)-5-methoxypentylidene]amino]oxyethanamine

C₁₄H₂₁FN₂O₂ — CID 58046602

About 2-[(E)-[1-(4-fluorophenyl)-5-methoxypentylidene]amino]oxyethanamine

2-[(E)-[1-(4-fluorophenyl)-5-methoxypentylidene]amino]oxyethanamine (PubChem CID 58046602) has the molecular formula C₁₄H₂₁FN₂O₂ and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[(E)-[1-(4-fluorophenyl)-5-methoxypentylidene]amino]oxyethanamine.

Molecular Properties

• Compound Name: 2-[(E)-[1-(4-fluorophenyl)-5-methoxypentylidene]amino]oxyethanamine
• PubChem CID: 58046602
• Molecular Formula: C₁₄H₂₁FN₂O₂
• Molecular Weight: 268.33 g/mol
• Exact Mass: 268.16
• IUPAC Name: 2-[(E)-[1-(4-fluorophenyl)-5-methoxypentylidene]amino]oxyethanamine
• SMILES: COCCCC/C(=N\OCCN)c1ccc(F)cc1
• InChI: InChI=1S/C14H21FN2O2/c1-18-10-3-2-4-14(17-19-11-9-16)12-5-7-13(15)8-6-12/h5-8H,2-4,9-11,16H2,1H3/b17-14+
• InChIKey: HGPABBRYQVLRQX-SAPNQHFASA-N
• XLogP: 2.32
• TPSA: 56.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	268.33
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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'}

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[1-(4-fluorophenyl)-5-methoxypentylidene]amino]oxyethanamine?

The IUPAC name of 2-[(E)-[1-(4-fluorophenyl)-5-methoxypentylidene]amino]oxyethanamine (CID 58046602) is 2-[(E)-[1-(4-fluorophenyl)-5-methoxypentylidene]amino]oxyethanamine.

What is the SMILES notation for 2-[(E)-[1-(4-fluorophenyl)-5-methoxypentylidene]amino]oxyethanamine?

The canonical SMILES for 2-[(E)-[1-(4-fluorophenyl)-5-methoxypentylidene]amino]oxyethanamine is COCCCC/C(=N\OCCN)c1ccc(F)cc1.

What is the InChIKey of 2-[(E)-[1-(4-fluorophenyl)-5-methoxypentylidene]amino]oxyethanamine?

The InChIKey is HGPABBRYQVLRQX-SAPNQHFASA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-18-10-3-2-4-14(17-19-11-9-16)12-5-7-13(15)8-6-12/h5-8H,2-4,9-11,16H2,1H3/b17-14+.

What are the key properties of 2-[(E)-[1-(4-fluorophenyl)-5-methoxypentylidene]amino]oxyethanamine?

2-[(E)-[1-(4-fluorophenyl)-5-methoxypentylidene]amino]oxyethanamine has a molecular weight of 268.33 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(E)-[1-(4-fluorophenyl)-5-methoxypentylidene]amino]oxyethanamine is sourced from PubChem (CID 58046602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 58046602 — identifiers, structure, computed properties (public domain)

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