(3S)-N-[(3R)-oxolan-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

C16H21F3N2O — CID 69059620

IUPAC(3S)-N-[(3R)-oxolan-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESFC(F)(F)c1ccccc1CN([C@@H]1CCOC1)[C@H]1CCNC1
InChIInChI=1S/C16H21F3N2O/c17-16(18,19)15-4-2-1-3-12(15)10-21(13-5-7-20-9-13)14-6-8-22-11-14/h1-4,13-14,20H,5-11H2/t13-,14+/m0/s1
InChIKeyJSCFSQRAMCHWOI-UONOGXRCSA-N
MW314.35 g/mol
LogP2.66
Rot. Bonds4

About (3S)-N-[(3R)-oxolan-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

(3S)-N-[(3R)-oxolan-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 69059620) has the molecular formula C16H21F3N2O and a molecular weight of 314.35 g/mol. Its IUPAC name is (3S)-N-[(3R)-oxolan-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(3R)-oxolan-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
PubChem CID69059620
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC Name(3S)-N-[(3R)-oxolan-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESFC(F)(F)c1ccccc1CN([C@@H]1CCOC1)[C@H]1CCNC1
InChIInChI=1S/C16H21F3N2O/c17-16(18,19)15-4-2-1-3-12(15)10-21(13-5-7-20-9-13)14-6-8-22-11-14/h1-4,13-14,20H,5-11H2/t13-,14+/m0/s1
InChIKeyJSCFSQRAMCHWOI-UONOGXRCSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-[(3R)-oxolan-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine with MolForge

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Related Compounds

(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-(2-trifluoromethyl-benzyl)-amine
CID 11301893
biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-amine
CID 11450539
(S)-N-(3-fluoro-2-(trifluoromethyl)benzyl)-N-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-amine
CID 44441350
(R)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-amine
CID 44441340
(S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-amine
CID 44441341
(S)-N-(2-methyl-3-(trifluoromethyl)benzyl)-N-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-amine
CID 44441348
(2-methyl-benzyl)-(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-amine
CID 44441351
(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-(2,3,4-trifluoro-benzyl)-amine
CID 44441353
N-[(2,3-dimethylphenyl)methyl]-N-(oxan-4-yl)pyrrolidin-3-amine
CID 16730430
N-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(oxan-4-yl)pyrrolidin-3-amine
CID 127049763
N-[(2-methylphenyl)methyl]-N-(oxan-4-yl)pyrrolidin-3-amine
CID 127051504
N-benzyl-3-(trifluoromethyl)oxolan-3-amine
CID 75480518

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3R)-oxolan-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-N-[(3R)-oxolan-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (CID 69059620) is (3S)-N-[(3R)-oxolan-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-[(3R)-oxolan-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-N-[(3R)-oxolan-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is FC(F)(F)c1ccccc1CN([C@@H]1CCOC1)[C@H]1CCNC1.
What is the InChIKey of (3S)-N-[(3R)-oxolan-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is JSCFSQRAMCHWOI-UONOGXRCSA-N. The full InChI is InChI=1S/C16H21F3N2O/c17-16(18,19)15-4-2-1-3-12(15)10-21(13-5-7-20-9-13)14-6-8-22-11-14/h1-4,13-14,20H,5-11H2/t13-,14+/m0/s1.
What are the key properties of (3S)-N-[(3R)-oxolan-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
(3S)-N-[(3R)-oxolan-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 314.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3R)-oxolan-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 69059620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).