(E)-N-(1-propan-2-ylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine

C15H19F3N2O — CID 71653434

IUPAC(E)-N-(1-propan-2-ylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine
SMILESCC(C)N1CCC(O/N=C/c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H19F3N2O/c1-11(2)20-7-6-14(10-20)21-19-9-12-4-3-5-13(8-12)15(16,17)18/h3-5,8-9,11,14H,6-7,10H2,1-2H3/b19-9+
InChIKeyXMCNFUKMIGPZJH-DJKKODMXSA-N
MW300.32 g/mol
LogP3.54
Rot. Bonds4

About (E)-N-(1-propan-2-ylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine

(E)-N-(1-propan-2-ylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine (PubChem CID 71653434) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is (E)-N-(1-propan-2-ylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name(E)-N-(1-propan-2-ylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine
PubChem CID71653434
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name(E)-N-(1-propan-2-ylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine
SMILESCC(C)N1CCC(O/N=C/c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H19F3N2O/c1-11(2)20-7-6-14(10-20)21-19-9-12-4-3-5-13(8-12)15(16,17)18/h3-5,8-9,11,14H,6-7,10H2,1-2H3/b19-9+
InChIKeyXMCNFUKMIGPZJH-DJKKODMXSA-N
XLogP3.54
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.54
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'}

Analyze (E)-N-(1-propan-2-ylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-propan-2-ylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of (E)-N-(1-propan-2-ylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine (CID 71653434) is (E)-N-(1-propan-2-ylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for (E)-N-(1-propan-2-ylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for (E)-N-(1-propan-2-ylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine is CC(C)N1CCC(O/N=C/c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (E)-N-(1-propan-2-ylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine?
The InChIKey is XMCNFUKMIGPZJH-DJKKODMXSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-11(2)20-7-6-14(10-20)21-19-9-12-4-3-5-13(8-12)15(16,17)18/h3-5,8-9,11,14H,6-7,10H2,1-2H3/b19-9+.
What are the key properties of (E)-N-(1-propan-2-ylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine?
(E)-N-(1-propan-2-ylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine has a molecular weight of 300.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-propan-2-ylpyrrolidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 71653434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).