(E)-N-(1-methylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine

C13H15F3N2O — CID 71653279

IUPAC(E)-N-(1-methylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine
SMILESCN1CCC(O/N=C/c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H15F3N2O/c1-18-6-5-12(9-18)19-17-8-10-3-2-4-11(7-10)13(14,15)16/h2-4,7-8,12H,5-6,9H2,1H3/b17-8+
InChIKeyHYWNJOZAWOJPHD-CAOOACKPSA-N
MW272.27 g/mol
LogP2.76
Rot. Bonds3

About (E)-N-(1-methylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine

(E)-N-(1-methylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine (PubChem CID 71653279) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is (E)-N-(1-methylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name(E)-N-(1-methylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine
PubChem CID71653279
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name(E)-N-(1-methylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine
SMILESCN1CCC(O/N=C/c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H15F3N2O/c1-18-6-5-12(9-18)19-17-8-10-3-2-4-11(7-10)13(14,15)16/h2-4,7-8,12H,5-6,9H2,1H3/b17-8+
InChIKeyHYWNJOZAWOJPHD-CAOOACKPSA-N
XLogP2.76
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.76
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-methylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of (E)-N-(1-methylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine (CID 71653279) is (E)-N-(1-methylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for (E)-N-(1-methylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for (E)-N-(1-methylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine is CN1CCC(O/N=C/c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (E)-N-(1-methylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine?
The InChIKey is HYWNJOZAWOJPHD-CAOOACKPSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-18-6-5-12(9-18)19-17-8-10-3-2-4-11(7-10)13(14,15)16/h2-4,7-8,12H,5-6,9H2,1H3/b17-8+.
What are the key properties of (E)-N-(1-methylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine?
(E)-N-(1-methylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine has a molecular weight of 272.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-methylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 71653279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).