(1E)-1-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-2-amine

C11H13F3N2O — CID 58684623

IUPAC(1E)-1-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-2-amine
SMILESCC(N)/C=N/OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O/c1-8(15)6-16-17-7-9-3-2-4-10(5-9)11(12,13)14/h2-6,8H,7,15H2,1H3/b16-6+
InChIKeyLIULWBWUFWJCMC-OMCISZLKSA-N
MW246.23 g/mol
LogP2.56
Rot. Bonds4

About (1E)-1-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-2-amine

(1E)-1-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-2-amine (PubChem CID 58684623) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is (1E)-1-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-2-amine.

Molecular Properties

Compound Name(1E)-1-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-2-amine
PubChem CID58684623
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name(1E)-1-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-2-amine
SMILESCC(N)/C=N/OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O/c1-8(15)6-16-17-7-9-3-2-4-10(5-9)11(12,13)14/h2-6,8H,7,15H2,1H3/b16-6+
InChIKeyLIULWBWUFWJCMC-OMCISZLKSA-N
XLogP2.56
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.56
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'}

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Related Compounds

(1E)-1-[amino-[[3-(trifluoromethyl)phenyl]methoxyamino]methylidene]-2-propan-2-ylguanidine;hydrochloride
CID 49860780
(E)-N-phenylmethoxypropan-1-imine
CID 11789542
n-butyraldehyde-O-benzyloxime
CID 129775686
(E)-N-[(4-fluorophenyl)methoxy]ethanimine
CID 14128517
(E)-N-[(3,4-difluorophenyl)methoxy]-2,2-dimethylpropan-1-imine
CID 20584648
N-[[3-(trifluoromethyl)phenyl]methoxy]methanamine
CID 22356645
2-methyl-N-[[3-(trifluoromethyl)phenyl]methoxy]propan-2-amine
CID 57756664
(2E)-2-[[3-(trifluoromethyl)phenyl]methoxyimino]ethanamine
CID 58684117
(3E)-3-[[4-(trifluoromethyl)phenyl]methoxyimino]propan-1-amine
CID 58684240
(2E)-2-[(4-fluorophenyl)methoxyimino]ethanamine
CID 58684291
(3E)-3-[(4-fluorophenyl)methoxyimino]propan-1-amine
CID 58684342
(3E)-3-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-1-amine
CID 58684355

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-2-amine?
The IUPAC name of (1E)-1-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-2-amine (CID 58684623) is (1E)-1-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-2-amine.
What is the SMILES notation for (1E)-1-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-2-amine?
The canonical SMILES for (1E)-1-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-2-amine is CC(N)/C=N/OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of (1E)-1-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-2-amine?
The InChIKey is LIULWBWUFWJCMC-OMCISZLKSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-8(15)6-16-17-7-9-3-2-4-10(5-9)11(12,13)14/h2-6,8H,7,15H2,1H3/b16-6+.
What are the key properties of (1E)-1-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-2-amine?
(1E)-1-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-2-amine has a molecular weight of 246.23 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-2-amine is sourced from PubChem (CID 58684623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).