3-[2-(aminomethyl)phenyl]-6-methyl-1,3-oxazinan-2-one

C12H16N2O2 — CID 105475751

IUPAC3-[2-(aminomethyl)phenyl]-6-methyl-1,3-oxazinan-2-one
SMILESCC1CCN(c2ccccc2CN)C(=O)O1
InChIInChI=1S/C12H16N2O2/c1-9-6-7-14(12(15)16-9)11-5-3-2-4-10(11)8-13/h2-5,9H,6-8,13H2,1H3
InChIKeyMWPUYMWMXUHXON-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.88
Rot. Bonds2

About 3-[2-(aminomethyl)phenyl]-6-methyl-1,3-oxazinan-2-one

3-[2-(aminomethyl)phenyl]-6-methyl-1,3-oxazinan-2-one (PubChem CID 105475751) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-[2-(aminomethyl)phenyl]-6-methyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[2-(aminomethyl)phenyl]-6-methyl-1,3-oxazinan-2-one
PubChem CID105475751
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-[2-(aminomethyl)phenyl]-6-methyl-1,3-oxazinan-2-one
SMILESCC1CCN(c2ccccc2CN)C(=O)O1
InChIInChI=1S/C12H16N2O2/c1-9-6-7-14(12(15)16-9)11-5-3-2-4-10(11)8-13/h2-5,9H,6-8,13H2,1H3
InChIKeyMWPUYMWMXUHXON-UHFFFAOYSA-N
XLogP1.88
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(aminomethyl)phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 105458799
3-[2-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 105458812
3-(3-aminophenyl)-6-methyl-1,3-oxazinan-2-one
CID 105458794
[2-[(2S)-2-methylpiperidin-1-yl]phenyl]methanamine
CID 26871970
1-[2-(aminomethyl)phenyl]-4,4-dimethyl-1,3-diazinan-2-one
CID 105493253
6-(2-aminoethyl)-3-(2,3-dimethylphenyl)-1,3-oxazinan-2-one
CID 117011000
3-(2-bromophenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011660
1-[2-(aminomethyl)phenyl]-4-hydroxypyrrolidin-2-one
CID 168703041
1-[2-(aminomethyl)phenyl]-3-methylpyrrolidine-2,5-dione
CID 61038416
[2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methanamine
CID 43572805
[2-(2-ethylazepan-1-yl)phenyl]methanamine
CID 104688934
[2-(3,5-dimethylpiperidin-1-yl)phenyl]methanamine
CID 43199915

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)phenyl]-6-methyl-1,3-oxazinan-2-one?
The IUPAC name of 3-[2-(aminomethyl)phenyl]-6-methyl-1,3-oxazinan-2-one (CID 105475751) is 3-[2-(aminomethyl)phenyl]-6-methyl-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[2-(aminomethyl)phenyl]-6-methyl-1,3-oxazinan-2-one?
The canonical SMILES for 3-[2-(aminomethyl)phenyl]-6-methyl-1,3-oxazinan-2-one is CC1CCN(c2ccccc2CN)C(=O)O1.
What is the InChIKey of 3-[2-(aminomethyl)phenyl]-6-methyl-1,3-oxazinan-2-one?
The InChIKey is MWPUYMWMXUHXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-6-7-14(12(15)16-9)11-5-3-2-4-10(11)8-13/h2-5,9H,6-8,13H2,1H3.
What are the key properties of 3-[2-(aminomethyl)phenyl]-6-methyl-1,3-oxazinan-2-one?
3-[2-(aminomethyl)phenyl]-6-methyl-1,3-oxazinan-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)phenyl]-6-methyl-1,3-oxazinan-2-one is sourced from PubChem (CID 105475751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).