N-(oxan-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

C17H23F3N2O — CID 69145125

IUPACN-(oxan-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESFC(F)(F)c1ccccc1CN1CCC(NC2CCOCC2)C1
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)16-4-2-1-3-13(16)11-22-8-5-15(12-22)21-14-6-9-23-10-7-14/h1-4,14-15,21H,5-12H2
InChIKeyFPNLNFILWNOYAX-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.05
Rot. Bonds4

About N-(oxan-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

N-(oxan-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 69145125) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-(oxan-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
PubChem CID69145125
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC NameN-(oxan-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESFC(F)(F)c1ccccc1CN1CCC(NC2CCOCC2)C1
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)16-4-2-1-3-13(16)11-22-8-5-15(12-22)21-14-6-9-23-10-7-14/h1-4,14-15,21H,5-12H2
InChIKeyFPNLNFILWNOYAX-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(oxan-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine 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 N-(oxan-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of N-(oxan-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (CID 69145125) is N-(oxan-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-(oxan-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for N-(oxan-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is FC(F)(F)c1ccccc1CN1CCC(NC2CCOCC2)C1.
What is the InChIKey of N-(oxan-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is FPNLNFILWNOYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c18-17(19,20)16-4-2-1-3-13(16)11-22-8-5-15(12-22)21-14-6-9-23-10-7-14/h1-4,14-15,21H,5-12H2.
What are the key properties of N-(oxan-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
N-(oxan-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 328.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 69145125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).