2-amino-1-[3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-1-one

C15H19F3N2O — CID 75449623

IUPAC2-amino-1-[3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-1-one
SMILESCC(N)C(=O)N1CCC(C)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O/c1-9-7-8-20(14(21)10(2)19)13(9)11-3-5-12(6-4-11)15(16,17)18/h3-6,9-10,13H,7-8,19H2,1-2H3
InChIKeyYKTIEJXLFIJRKE-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.96
Rot. Bonds2

About 2-amino-1-[3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-1-one

2-amino-1-[3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 75449623) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-amino-1-[3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-1-one
PubChem CID75449623
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2-amino-1-[3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-1-one
SMILESCC(N)C(=O)N1CCC(C)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O/c1-9-7-8-20(14(21)10(2)19)13(9)11-3-5-12(6-4-11)15(16,17)18/h3-6,9-10,13H,7-8,19H2,1-2H3
InChIKeyYKTIEJXLFIJRKE-UHFFFAOYSA-N
XLogP2.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 97341723
(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2S,3R)-3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 130423628
tert-butyl (4S)-4-methyl-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 172506899
(2R,3R)-2-hydroxy-3-methyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide
CID 162583231
3-amino-1-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 120874023
tert-butyl 2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 102106848
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 102787424
2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 140707313
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 125146300
(2S,3R)-N-methoxy-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 96998691
ethyl 3-methyl-2-phenylpyrrolidine-1-carboxylate
CID 165407566
(2S)-2-amino-4-methyl-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pentan-1-one
CID 119729298

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-amino-1-[3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-1-one (CID 75449623) is 2-amino-1-[3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-1-[3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-1-[3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-1-one is CC(N)C(=O)N1CCC(C)C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-amino-1-[3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is YKTIEJXLFIJRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-9-7-8-20(14(21)10(2)19)13(9)11-3-5-12(6-4-11)15(16,17)18/h3-6,9-10,13H,7-8,19H2,1-2H3.
What are the key properties of 2-amino-1-[3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-1-one?
2-amino-1-[3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 300.32 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 75449623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).