2-[5-phenyl-4-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-3-yl]ethanol

C20H23F3N2O — CID 19974852

IUPAC2-[5-phenyl-4-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-3-yl]ethanol
SMILESOCCC1CNC(c2ccccc2)C1NCc1ccccc1C(F)(F)F
InChIInChI=1S/C20H23F3N2O/c21-20(22,23)17-9-5-4-8-15(17)12-24-19-16(10-11-26)13-25-18(19)14-6-2-1-3-7-14/h1-9,16,18-19,24-26H,10-13H2
InChIKeyRYROWUZCRCDBDG-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.51
Rot. Bonds6

About 2-[5-phenyl-4-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-3-yl]ethanol

2-[5-phenyl-4-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-3-yl]ethanol (PubChem CID 19974852) has the molecular formula C20H23F3N2O and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[5-phenyl-4-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-phenyl-4-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-3-yl]ethanol
PubChem CID19974852
Molecular FormulaC20H23F3N2O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name2-[5-phenyl-4-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-3-yl]ethanol
SMILESOCCC1CNC(c2ccccc2)C1NCc1ccccc1C(F)(F)F
InChIInChI=1S/C20H23F3N2O/c21-20(22,23)17-9-5-4-8-15(17)12-24-19-16(10-11-26)13-25-18(19)14-6-2-1-3-7-14/h1-9,16,18-19,24-26H,10-13H2
InChIKeyRYROWUZCRCDBDG-UHFFFAOYSA-N
XLogP3.51
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-phenyl-4-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[5-phenyl-4-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-3-yl]ethanol (CID 19974852) is 2-[5-phenyl-4-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[5-phenyl-4-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[5-phenyl-4-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-3-yl]ethanol is OCCC1CNC(c2ccccc2)C1NCc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[5-phenyl-4-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-3-yl]ethanol?
The InChIKey is RYROWUZCRCDBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O/c21-20(22,23)17-9-5-4-8-15(17)12-24-19-16(10-11-26)13-25-18(19)14-6-2-1-3-7-14/h1-9,16,18-19,24-26H,10-13H2.
What are the key properties of 2-[5-phenyl-4-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-3-yl]ethanol?
2-[5-phenyl-4-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-3-yl]ethanol has a molecular weight of 364.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-phenyl-4-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 19974852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).