3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]oxolan-2-one

C13H16FNO3 — CID 43824150

IUPAC3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]oxolan-2-one
SMILESCOc1ccc(C(C)NC2CCOC2=O)cc1F
InChIInChI=1S/C13H16FNO3/c1-8(15-11-5-6-18-13(11)16)9-3-4-12(17-2)10(14)7-9/h3-4,7-8,11,15H,5-6H2,1-2H3
InChIKeySSZJOYJPXOCDTR-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.80
Rot. Bonds4

About 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]oxolan-2-one

3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]oxolan-2-one (PubChem CID 43824150) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]oxolan-2-one.

Molecular Properties

Compound Name3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]oxolan-2-one
PubChem CID43824150
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]oxolan-2-one
SMILESCOc1ccc(C(C)NC2CCOC2=O)cc1F
InChIInChI=1S/C13H16FNO3/c1-8(15-11-5-6-18-13(11)16)9-3-4-12(17-2)10(14)7-9/h3-4,7-8,11,15H,5-6H2,1-2H3
InChIKeySSZJOYJPXOCDTR-UHFFFAOYSA-N
XLogP1.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 115892503
4-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 43225789
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80705092
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773190
[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]cyclopentyl]methanol
CID 103786056
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylcyclopropan-1-amine
CID 103902769
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide
CID 47013228
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892876
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 60857448
1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 38163692
(1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350630
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
CID 71977305

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]oxolan-2-one?
The IUPAC name of 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]oxolan-2-one (CID 43824150) is 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]oxolan-2-one.
What is the SMILES notation for 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]oxolan-2-one?
The canonical SMILES for 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]oxolan-2-one is COc1ccc(C(C)NC2CCOC2=O)cc1F.
What is the InChIKey of 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]oxolan-2-one?
The InChIKey is SSZJOYJPXOCDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-8(15-11-5-6-18-13(11)16)9-3-4-12(17-2)10(14)7-9/h3-4,7-8,11,15H,5-6H2,1-2H3.
What are the key properties of 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]oxolan-2-one?
3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]oxolan-2-one has a molecular weight of 253.27 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]oxolan-2-one is sourced from PubChem (CID 43824150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).