N-[1-(oxolan-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine

C17H23F3N2O — CID 122139005

IUPACN-[1-(oxolan-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
SMILESCC(NC1CCN(c2ccccc2C(F)(F)F)C1)C1CCOC1
InChIInChI=1S/C17H23F3N2O/c1-12(13-7-9-23-11-13)21-14-6-8-22(10-14)16-5-3-2-4-15(16)17(18,19)20/h2-5,12-14,21H,6-11H2,1H3
InChIKeyDJYBUPJXFLDFGI-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.30
Rot. Bonds4

About N-[1-(oxolan-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine

N-[1-(oxolan-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine (PubChem CID 122139005) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
PubChem CID122139005
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC NameN-[1-(oxolan-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
SMILESCC(NC1CCN(c2ccccc2C(F)(F)F)C1)C1CCOC1
InChIInChI=1S/C17H23F3N2O/c1-12(13-7-9-23-11-13)21-14-6-8-22(10-14)16-5-3-2-4-15(16)17(18,19)20/h2-5,12-14,21H,6-11H2,1H3
InChIKeyDJYBUPJXFLDFGI-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The IUPAC name of N-[1-(oxolan-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine (CID 122139005) is N-[1-(oxolan-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[1-(oxolan-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The canonical SMILES for N-[1-(oxolan-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine is CC(NC1CCN(c2ccccc2C(F)(F)F)C1)C1CCOC1.
What is the InChIKey of N-[1-(oxolan-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The InChIKey is DJYBUPJXFLDFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-12(13-7-9-23-11-13)21-14-6-8-22(10-14)16-5-3-2-4-15(16)17(18,19)20/h2-5,12-14,21H,6-11H2,1H3.
What are the key properties of N-[1-(oxolan-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
N-[1-(oxolan-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine has a molecular weight of 328.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 122139005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).