4-(aminomethyl)-1-(5-fluoro-2-propan-2-yloxyphenyl)pyrrolidin-2-one

C14H19FN2O2 — CID 168659169

IUPAC4-(aminomethyl)-1-(5-fluoro-2-propan-2-yloxyphenyl)pyrrolidin-2-one
SMILESCC(C)Oc1ccc(F)cc1N1CC(CN)CC1=O
InChIInChI=1S/C14H19FN2O2/c1-9(2)19-13-4-3-11(15)6-12(13)17-8-10(7-16)5-14(17)18/h3-4,6,9-10H,5,7-8,16H2,1-2H3
InChIKeyNZHQDTBMXVZVNB-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.92
Rot. Bonds4

About 4-(aminomethyl)-1-(5-fluoro-2-propan-2-yloxyphenyl)pyrrolidin-2-one

4-(aminomethyl)-1-(5-fluoro-2-propan-2-yloxyphenyl)pyrrolidin-2-one (PubChem CID 168659169) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(5-fluoro-2-propan-2-yloxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(5-fluoro-2-propan-2-yloxyphenyl)pyrrolidin-2-one
PubChem CID168659169
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name4-(aminomethyl)-1-(5-fluoro-2-propan-2-yloxyphenyl)pyrrolidin-2-one
SMILESCC(C)Oc1ccc(F)cc1N1CC(CN)CC1=O
InChIInChI=1S/C14H19FN2O2/c1-9(2)19-13-4-3-11(15)6-12(13)17-8-10(7-16)5-14(17)18/h3-4,6,9-10H,5,7-8,16H2,1-2H3
InChIKeyNZHQDTBMXVZVNB-UHFFFAOYSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-1-(5-fluoro-2-hydroxyphenyl)pyrrolidin-2-one
CID 168660608
4-(aminomethyl)-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one
CID 168659342
4-(aminomethyl)-1-[5-fluoro-2-(methylamino)phenyl]pyrrolidin-2-one
CID 168659436
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-fluorobenzonitrile
CID 168660605
4-(chloromethyl)-1-(5-fluoro-2-methoxyphenyl)pyrrolidin-2-one
CID 168507511
4-(aminomethyl)-1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168660629
4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one
CID 168659847
4-(aminomethyl)-1-[2-(2,2-difluoroethoxy)phenyl]pyrrolidin-2-one
CID 168660883
4-(aminomethyl)-1-(4-bromo-2-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168659759
4-(aminomethyl)-1-(5-chloro-2-methoxy-4-methylphenyl)pyrrolidin-2-one
CID 83556585
[1-(2-amino-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677212
[1-(2,5-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682427

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(5-fluoro-2-propan-2-yloxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(5-fluoro-2-propan-2-yloxyphenyl)pyrrolidin-2-one (CID 168659169) is 4-(aminomethyl)-1-(5-fluoro-2-propan-2-yloxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(5-fluoro-2-propan-2-yloxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(5-fluoro-2-propan-2-yloxyphenyl)pyrrolidin-2-one is CC(C)Oc1ccc(F)cc1N1CC(CN)CC1=O.
What is the InChIKey of 4-(aminomethyl)-1-(5-fluoro-2-propan-2-yloxyphenyl)pyrrolidin-2-one?
The InChIKey is NZHQDTBMXVZVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9(2)19-13-4-3-11(15)6-12(13)17-8-10(7-16)5-14(17)18/h3-4,6,9-10H,5,7-8,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-1-(5-fluoro-2-propan-2-yloxyphenyl)pyrrolidin-2-one?
4-(aminomethyl)-1-(5-fluoro-2-propan-2-yloxyphenyl)pyrrolidin-2-one has a molecular weight of 266.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(5-fluoro-2-propan-2-yloxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168659169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).