5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol

C14H19F3N2O2 — CID 71433886

IUPAC5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol
SMILESNCCON=C(CCCCO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c15-14(16,17)12-6-4-11(5-7-12)13(3-1-2-9-20)19-21-10-8-18/h4-7,20H,1-3,8-10,18H2
InChIKeyGCSLDHTZSDNYEC-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.55
Rot. Bonds8

About 5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol

5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol (PubChem CID 71433886) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol.

Molecular Properties

Compound Name5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol
PubChem CID71433886
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol
SMILESNCCON=C(CCCCO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c15-14(16,17)12-6-4-11(5-7-12)13(3-1-2-9-20)19-21-10-8-18/h4-7,20H,1-3,8-10,18H2
InChIKeyGCSLDHTZSDNYEC-UHFFFAOYSA-N
XLogP2.55
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
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
4'-iodo-5-methoxyvalerophenone O-(2-aminoethyl)oxime
CID 10317369
2-[(E)-[1-(4-fluorophenyl)-5-methoxypentylidene]amino]oxyethanamine
CID 58046602
Fluvoxamine metabolite B
CID 10313784
Fluvoxamine metabolite F2
CID 154032615
Fluvoxamino acid
CID 46781165
N-(5-Methoxy-1-(4-(trifluoromethyl)phenyl)pentylidene)hydroxylamine, (E)-
CID 11346398
(deltaE)-delta-((2-Aminoethoxy)imino)-4-(trifluoromethyl)benzenepentanoic acid
CID 46781630

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol?
The IUPAC name of 5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol (CID 71433886) is 5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol.
What is the SMILES notation for 5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol?
The canonical SMILES for 5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol is NCCON=C(CCCCO)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol?
The InChIKey is GCSLDHTZSDNYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c15-14(16,17)12-6-4-11(5-7-12)13(3-1-2-9-20)19-21-10-8-18/h4-7,20H,1-3,8-10,18H2.
What are the key properties of 5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol?
5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol has a molecular weight of 304.31 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol is sourced from PubChem (CID 71433886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).