6-(2-aminoethyl)-3-(2,3-dimethylphenyl)-1,3-oxazinan-2-one

C14H20N2O2 — CID 117011000

IUPAC6-(2-aminoethyl)-3-(2,3-dimethylphenyl)-1,3-oxazinan-2-one
SMILESCc1cccc(N2CCC(CCN)OC2=O)c1C
InChIInChI=1S/C14H20N2O2/c1-10-4-3-5-13(11(10)2)16-9-7-12(6-8-15)18-14(16)17/h3-5,12H,6-9,15H2,1-2H3
InChIKeyXPKAWZMSYUEWCA-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.37
Rot. Bonds3

About 6-(2-aminoethyl)-3-(2,3-dimethylphenyl)-1,3-oxazinan-2-one

6-(2-aminoethyl)-3-(2,3-dimethylphenyl)-1,3-oxazinan-2-one (PubChem CID 117011000) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-(2-aminoethyl)-3-(2,3-dimethylphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-(2-aminoethyl)-3-(2,3-dimethylphenyl)-1,3-oxazinan-2-one
PubChem CID117011000
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name6-(2-aminoethyl)-3-(2,3-dimethylphenyl)-1,3-oxazinan-2-one
SMILESCc1cccc(N2CCC(CCN)OC2=O)c1C
InChIInChI=1S/C14H20N2O2/c1-10-4-3-5-13(11(10)2)16-9-7-12(6-8-15)18-14(16)17/h3-5,12H,6-9,15H2,1-2H3
InChIKeyXPKAWZMSYUEWCA-UHFFFAOYSA-N
XLogP2.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-aminoethyl)-3-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one
CID 117011006
5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 115003408
5-(2-aminoethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 15117126
3-[2-(aminomethyl)phenyl]-6-methyl-1,3-oxazinan-2-one
CID 105475751
3-(2-bromophenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011660
5-(2-aminoethyl)-3-(1H-benzimidazol-4-yl)-1,3-oxazolidin-2-one
CID 82384510
1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 69199779
(3R)-N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 92991057
6-(aminomethyl)-3-(4-bromo-3-methylphenyl)-1,3-oxazinan-2-one
CID 117010789
(3S)-1-(2,3-dimethylphenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330491
7-(2,3-dimethylphenyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
CID 117002110
6-(aminomethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one
CID 117010770

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-3-(2,3-dimethylphenyl)-1,3-oxazinan-2-one?
The IUPAC name of 6-(2-aminoethyl)-3-(2,3-dimethylphenyl)-1,3-oxazinan-2-one (CID 117011000) is 6-(2-aminoethyl)-3-(2,3-dimethylphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 6-(2-aminoethyl)-3-(2,3-dimethylphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for 6-(2-aminoethyl)-3-(2,3-dimethylphenyl)-1,3-oxazinan-2-one is Cc1cccc(N2CCC(CCN)OC2=O)c1C.
What is the InChIKey of 6-(2-aminoethyl)-3-(2,3-dimethylphenyl)-1,3-oxazinan-2-one?
The InChIKey is XPKAWZMSYUEWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-4-3-5-13(11(10)2)16-9-7-12(6-8-15)18-14(16)17/h3-5,12H,6-9,15H2,1-2H3.
What are the key properties of 6-(2-aminoethyl)-3-(2,3-dimethylphenyl)-1,3-oxazinan-2-one?
6-(2-aminoethyl)-3-(2,3-dimethylphenyl)-1,3-oxazinan-2-one has a molecular weight of 248.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-3-(2,3-dimethylphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 117011000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).