2-[(Z)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanol

C15H20F3NO3 — CID 154032615

IUPAC2-[(Z)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanol
SMILESCOCCCC/C(=N/OCCO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO3/c1-21-10-3-2-4-14(19-22-11-9-20)12-5-7-13(8-6-12)15(16,17)18/h5-8,20H,2-4,9-11H2,1H3/b19-14-
InChIKeyQYOYKCRNFLJCNH-RGEXLXHISA-N
MW319.32 g/mol
LogP3.24
Rot. Bonds9

About 2-[(Z)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanol

2-[(Z)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanol (PubChem CID 154032615) has the molecular formula C15H20F3NO3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-[(Z)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanol.

Molecular Properties

Compound Name2-[(Z)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanol
PubChem CID154032615
Molecular FormulaC15H20F3NO3
Molecular Weight319.32 g/mol
Exact Mass319.14
IUPAC Name2-[(Z)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanol
SMILESCOCCCC/C(=N/OCCO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO3/c1-21-10-3-2-4-14(19-22-11-9-20)12-5-7-13(8-6-12)15(16,17)18/h5-8,20H,2-4,9-11H2,1H3/b19-14-
InChIKeyQYOYKCRNFLJCNH-RGEXLXHISA-N
XLogP3.24
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

Fluvoxamine
CID 5324346
Fluvoxamine, (Z)-
CID 5361192
5-Methoxy-1-(4-(trifluoromethyl)phenyl)-1-pentanone O-(2-aminoethyl)oxime
CID 3404
5-Methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one oxime
CID 18462343
1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, oxime
CID 57355301
1-(3-Phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethan-1-ol
CID 13307489
Butyrophenone, 3-hydroxy-4,4,4-trifluoro-3-trifluoromethyl-, oxime
CID 6069848
Fluvoxamine metabolite E
CID 172931281
Fluvoxamino acid
CID 46781165
5,6-Dihydro-3-(4-methylphenyl)-4H-1,2-oxazine-6-methanol
CID 11390107
Desmethylfluvoxamine
CID 71433886
2-Cyclohexen-1-one, 3-(4-(2-hydroxy-1-methylethyl)phenyl)-, oxime
CID 9588136

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanol?
The IUPAC name of 2-[(Z)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanol (CID 154032615) is 2-[(Z)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanol.
What is the SMILES notation for 2-[(Z)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanol?
The canonical SMILES for 2-[(Z)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanol is COCCCC/C(=N/OCCO)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[(Z)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanol?
The InChIKey is QYOYKCRNFLJCNH-RGEXLXHISA-N. The full InChI is InChI=1S/C15H20F3NO3/c1-21-10-3-2-4-14(19-22-11-9-20)12-5-7-13(8-6-12)15(16,17)18/h5-8,20H,2-4,9-11H2,1H3/b19-14-.
What are the key properties of 2-[(Z)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanol?
2-[(Z)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanol has a molecular weight of 319.32 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanol is sourced from PubChem (CID 154032615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).