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

C19H19F3N2O — CID 71653578

IUPAC(E)-N-(1-benzylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1cccc(/C=N/OC2CCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C19H19F3N2O/c20-19(21,22)17-8-4-7-16(11-17)12-23-25-18-9-10-24(14-18)13-15-5-2-1-3-6-15/h1-8,11-12,18H,9-10,13-14H2/b23-12+
InChIKeyZBKGLTAMFLSRQF-FSJBWODESA-N
MW348.37 g/mol
LogP4.33
Rot. Bonds5

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

(E)-N-(1-benzylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine (PubChem CID 71653578) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is (E)-N-(1-benzylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name(E)-N-(1-benzylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine
PubChem CID71653578
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name(E)-N-(1-benzylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1cccc(/C=N/OC2CCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C19H19F3N2O/c20-19(21,22)17-8-4-7-16(11-17)12-23-25-18-9-10-24(14-18)13-15-5-2-1-3-6-15/h1-8,11-12,18H,9-10,13-14H2/b23-12+
InChIKeyZBKGLTAMFLSRQF-FSJBWODESA-N
XLogP4.33
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.33
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-benzylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of (E)-N-(1-benzylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine (CID 71653578) is (E)-N-(1-benzylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for (E)-N-(1-benzylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for (E)-N-(1-benzylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1cccc(/C=N/OC2CCN(Cc3ccccc3)C2)c1.
What is the InChIKey of (E)-N-(1-benzylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine?
The InChIKey is ZBKGLTAMFLSRQF-FSJBWODESA-N. The full InChI is InChI=1S/C19H19F3N2O/c20-19(21,22)17-8-4-7-16(11-17)12-23-25-18-9-10-24(14-18)13-15-5-2-1-3-6-15/h1-8,11-12,18H,9-10,13-14H2/b23-12+.
What are the key properties of (E)-N-(1-benzylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine?
(E)-N-(1-benzylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine has a molecular weight of 348.37 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-benzylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 71653578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).