3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-1-methylpyrrolidin-2-one

C15H21FN2O2 — CID 107717043

IUPAC3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-1-methylpyrrolidin-2-one
SMILESCCNC(C)c1ccc(OC2CCN(C)C2=O)cc1F
InChIInChI=1S/C15H21FN2O2/c1-4-17-10(2)12-6-5-11(9-13(12)16)20-14-7-8-18(3)15(14)19/h5-6,9-10,14,17H,4,7-8H2,1-3H3
InChIKeyQOSKKGHGIJYMMU-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.11
Rot. Bonds5

About 3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-1-methylpyrrolidin-2-one

3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-1-methylpyrrolidin-2-one (PubChem CID 107717043) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-1-methylpyrrolidin-2-one
PubChem CID107717043
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-1-methylpyrrolidin-2-one
SMILESCCNC(C)c1ccc(OC2CCN(C)C2=O)cc1F
InChIInChI=1S/C15H21FN2O2/c1-4-17-10(2)12-6-5-11(9-13(12)16)20-14-7-8-18(3)15(14)19/h5-6,9-10,14,17H,4,7-8H2,1-3H3
InChIKeyQOSKKGHGIJYMMU-UHFFFAOYSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,4-dimethylcyclohexyl)oxy-2-fluorophenyl]-N-ethylethanamine
CID 107717054
3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]butan-2-ol
CID 107717129
1-(4-butan-2-yloxy-2-fluorophenyl)-N-ethylethanamine
CID 107717175
N-[1-(4-cyclohexyloxy-2-fluorophenyl)ethyl]propan-1-amine
CID 107717660
1-methyl-3-[4-[2-(propylamino)propyl]phenoxy]pyrrolidin-2-one
CID 115495144
2-chloro-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoic acid
CID 106500672
2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide
CID 107717208
1-[4-(2-butoxyethoxy)-2-fluorophenyl]-N-ethylethanamine
CID 107717524
1-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-2,3-dimethylbutan-2-ol
CID 107717321
3-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-1-methylpyrrolidin-2-one
CID 107682787
N-ethyl-1-[2-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 107717423
1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 61240870

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-1-methylpyrrolidin-2-one (CID 107717043) is 3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-1-methylpyrrolidin-2-one is CCNC(C)c1ccc(OC2CCN(C)C2=O)cc1F.
What is the InChIKey of 3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-1-methylpyrrolidin-2-one?
The InChIKey is QOSKKGHGIJYMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-4-17-10(2)12-6-5-11(9-13(12)16)20-14-7-8-18(3)15(14)19/h5-6,9-10,14,17H,4,7-8H2,1-3H3.
What are the key properties of 3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-1-methylpyrrolidin-2-one?
3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-1-methylpyrrolidin-2-one has a molecular weight of 280.34 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 107717043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).