4-[(N-ethyl-4-fluoroanilino)methyl]oxane-4-carbaldehyde

C15H20FNO2 — CID 55066279

IUPAC4-[(N-ethyl-4-fluoroanilino)methyl]oxane-4-carbaldehyde
SMILESCCN(CC1(C=O)CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-2-17(14-5-3-13(16)4-6-14)11-15(12-18)7-9-19-10-8-15/h3-6,12H,2,7-11H2,1H3
InChIKeyIRWBFCOSNNIAEK-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.65
Rot. Bonds5

About 4-[(N-ethyl-4-fluoroanilino)methyl]oxane-4-carbaldehyde

4-[(N-ethyl-4-fluoroanilino)methyl]oxane-4-carbaldehyde (PubChem CID 55066279) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-[(N-ethyl-4-fluoroanilino)methyl]oxane-4-carbaldehyde.

Molecular Properties

Compound Name4-[(N-ethyl-4-fluoroanilino)methyl]oxane-4-carbaldehyde
PubChem CID55066279
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name4-[(N-ethyl-4-fluoroanilino)methyl]oxane-4-carbaldehyde
SMILESCCN(CC1(C=O)CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-2-17(14-5-3-13(16)4-6-14)11-15(12-18)7-9-19-10-8-15/h3-6,12H,2,7-11H2,1H3
InChIKeyIRWBFCOSNNIAEK-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(N-ethyl-4-fluoroanilino)methyl]oxane-4-carbaldehyde?
The IUPAC name of 4-[(N-ethyl-4-fluoroanilino)methyl]oxane-4-carbaldehyde (CID 55066279) is 4-[(N-ethyl-4-fluoroanilino)methyl]oxane-4-carbaldehyde.
What is the SMILES notation for 4-[(N-ethyl-4-fluoroanilino)methyl]oxane-4-carbaldehyde?
The canonical SMILES for 4-[(N-ethyl-4-fluoroanilino)methyl]oxane-4-carbaldehyde is CCN(CC1(C=O)CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 4-[(N-ethyl-4-fluoroanilino)methyl]oxane-4-carbaldehyde?
The InChIKey is IRWBFCOSNNIAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-17(14-5-3-13(16)4-6-14)11-15(12-18)7-9-19-10-8-15/h3-6,12H,2,7-11H2,1H3.
What are the key properties of 4-[(N-ethyl-4-fluoroanilino)methyl]oxane-4-carbaldehyde?
4-[(N-ethyl-4-fluoroanilino)methyl]oxane-4-carbaldehyde has a molecular weight of 265.33 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-ethyl-4-fluoroanilino)methyl]oxane-4-carbaldehyde is sourced from PubChem (CID 55066279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).