4-(2-aminoethyl)-3-(2-fluorophenyl)-1,3-oxazinan-2-one

C12H15FN2O2 — CID 117010932

IUPAC4-(2-aminoethyl)-3-(2-fluorophenyl)-1,3-oxazinan-2-one
SMILESNCCC1CCOC(=O)N1c1ccccc1F
InChIInChI=1S/C12H15FN2O2/c13-10-3-1-2-4-11(10)15-9(5-7-14)6-8-17-12(15)16/h1-4,9H,5-8,14H2
InChIKeyNQEYRCRYLQNBND-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.89
Rot. Bonds3

About 4-(2-aminoethyl)-3-(2-fluorophenyl)-1,3-oxazinan-2-one

4-(2-aminoethyl)-3-(2-fluorophenyl)-1,3-oxazinan-2-one (PubChem CID 117010932) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3-(2-fluorophenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-3-(2-fluorophenyl)-1,3-oxazinan-2-one
PubChem CID117010932
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name4-(2-aminoethyl)-3-(2-fluorophenyl)-1,3-oxazinan-2-one
SMILESNCCC1CCOC(=O)N1c1ccccc1F
InChIInChI=1S/C12H15FN2O2/c13-10-3-1-2-4-11(10)15-9(5-7-14)6-8-17-12(15)16/h1-4,9H,5-8,14H2
InChIKeyNQEYRCRYLQNBND-UHFFFAOYSA-N
XLogP1.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-3-benzyl-1,3-oxazinan-2-one
CID 117010904
4-(2-aminoethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one
CID 117010945
4-(2-aminoethyl)-3-(3,4-dimethylphenyl)-1,3-oxazinan-2-one
CID 117010922
4-(2-aminoethyl)-3-ethyl-1,3-oxazinan-2-one
CID 117010887
3-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011455
4-(2-aminoethyl)-3-[(2-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060206
2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)ethanamine
CID 117198805
[(2S)-1-(2-fluorophenyl)pyrrolidin-2-yl]methanamine
CID 130691324
4-(aminomethyl)-3-[(2-fluorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060196
3-[2-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 105458812
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234
5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazinan-2-one
CID 117002429

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-3-(2-fluorophenyl)-1,3-oxazinan-2-one?
The IUPAC name of 4-(2-aminoethyl)-3-(2-fluorophenyl)-1,3-oxazinan-2-one (CID 117010932) is 4-(2-aminoethyl)-3-(2-fluorophenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-3-(2-fluorophenyl)-1,3-oxazinan-2-one?
The canonical SMILES for 4-(2-aminoethyl)-3-(2-fluorophenyl)-1,3-oxazinan-2-one is NCCC1CCOC(=O)N1c1ccccc1F.
What is the InChIKey of 4-(2-aminoethyl)-3-(2-fluorophenyl)-1,3-oxazinan-2-one?
The InChIKey is NQEYRCRYLQNBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-10-3-1-2-4-11(10)15-9(5-7-14)6-8-17-12(15)16/h1-4,9H,5-8,14H2.
What are the key properties of 4-(2-aminoethyl)-3-(2-fluorophenyl)-1,3-oxazinan-2-one?
4-(2-aminoethyl)-3-(2-fluorophenyl)-1,3-oxazinan-2-one has a molecular weight of 238.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-3-(2-fluorophenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 117010932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).