1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one

C15H20F2N2O — CID 107523061

IUPAC1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CC(=O)N(CC(N)c2cc(F)ccc2F)C1
InChIInChI=1S/C15H20F2N2O/c1-9(2)10-5-15(20)19(7-10)8-14(18)12-6-11(16)3-4-13(12)17/h3-4,6,9-10,14H,5,7-8,18H2,1-2H3
InChIKeyRUAIEOHYLVDBNZ-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.47
Rot. Bonds4

About 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one

1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one (PubChem CID 107523061) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one
PubChem CID107523061
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CC(=O)N(CC(N)c2cc(F)ccc2F)C1
InChIInChI=1S/C15H20F2N2O/c1-9(2)10-5-15(20)19(7-10)8-14(18)12-6-11(16)3-4-13(12)17/h3-4,6,9-10,14H,5,7-8,18H2,1-2H3
InChIKeyRUAIEOHYLVDBNZ-UHFFFAOYSA-N
XLogP2.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione
CID 107522884
1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-propylpyrrolidin-2-one
CID 107523045
1-[(4-amino-2-fluorophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104510877
1-(2,5-difluorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 107522065
1-(2,5-difluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 107520830
1-[(4-chlorophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 23588935
1-[2-amino-2-(2,5-difluorophenyl)ethyl]-3-propylimidazol-2-one
CID 107522950
3-fluoro-4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 104511904
N'-(1-cyclopropylethyl)-1-(2,5-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107519713
4-[(4-fluorophenyl)-hydroxymethyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 82175938
1-ethyl-4-propan-2-ylpyrrolidin-2-one
CID 122470396
1-(2-amino-3-methoxy-3-methylbutyl)-4-propan-2-ylpyrrolidin-2-one
CID 114228631

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one (CID 107523061) is 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one is CC(C)C1CC(=O)N(CC(N)c2cc(F)ccc2F)C1.
What is the InChIKey of 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is RUAIEOHYLVDBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-9(2)10-5-15(20)19(7-10)8-14(18)12-6-11(16)3-4-13(12)17/h3-4,6,9-10,14H,5,7-8,18H2,1-2H3.
What are the key properties of 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one?
1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 282.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 107523061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).