3-(2-aminophenyl)-4,4-dimethyl-1,3-oxazinan-2-one

C12H16N2O2 — CID 105475757

IUPAC3-(2-aminophenyl)-4,4-dimethyl-1,3-oxazinan-2-one
SMILESCC1(C)CCOC(=O)N1c1ccccc1N
InChIInChI=1S/C12H16N2O2/c1-12(2)7-8-16-11(15)14(12)10-6-4-3-5-9(10)13/h3-6H,7-8,13H2,1-2H3
InChIKeyDPQXSSKMJPQYJK-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.39
Rot. Bonds1

About 3-(2-aminophenyl)-4,4-dimethyl-1,3-oxazinan-2-one

3-(2-aminophenyl)-4,4-dimethyl-1,3-oxazinan-2-one (PubChem CID 105475757) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(2-aminophenyl)-4,4-dimethyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(2-aminophenyl)-4,4-dimethyl-1,3-oxazinan-2-one
PubChem CID105475757
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-(2-aminophenyl)-4,4-dimethyl-1,3-oxazinan-2-one
SMILESCC1(C)CCOC(=O)N1c1ccccc1N
InChIInChI=1S/C12H16N2O2/c1-12(2)7-8-16-11(15)14(12)10-6-4-3-5-9(10)13/h3-6H,7-8,13H2,1-2H3
InChIKeyDPQXSSKMJPQYJK-UHFFFAOYSA-N
XLogP2.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminophenyl)-3,4-dimethyl-1,3-oxazinan-2-one
CID 105475739
1-(2-aminophenyl)-4,4-dimethyl-1,3-diazinan-2-one
CID 105474458
1-(2-aminophenyl)-4,4-dimethylimidazolidin-2-one
CID 105457673
4-(3-aminophenyl)-6-oxa-4-azaspiro[2.5]octan-5-one
CID 105472267
1-(2-aminophenyl)imidazolidine-2,4-dione
CID 83818017
4-(2-aminophenyl)morpholine-3,5-dione
CID 61326987
4-(2-aminoethyl)-4-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one
CID 115064459
2-(2,3-dihydro-1,4-benzoxazin-4-yl)aniline
CID 82391483
4-(hydroxymethyl)-3-(2-hydroxyphenyl)-4-methyl-1,3-oxazolidin-2-one
CID 115063942
3,4-dihydro-2H-1,5-benzodioxepine-7-sulfinate;2-pyrrolidin-1-ylaniline
CID 156797037
1-(2-aminophenyl)azepane-2,7-dione
CID 43446671
5-(2-aminophenyl)-3,5-dimethyl-1,3-oxazolidin-2-one
CID 105458735

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-4,4-dimethyl-1,3-oxazinan-2-one?
The IUPAC name of 3-(2-aminophenyl)-4,4-dimethyl-1,3-oxazinan-2-one (CID 105475757) is 3-(2-aminophenyl)-4,4-dimethyl-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(2-aminophenyl)-4,4-dimethyl-1,3-oxazinan-2-one?
The canonical SMILES for 3-(2-aminophenyl)-4,4-dimethyl-1,3-oxazinan-2-one is CC1(C)CCOC(=O)N1c1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-4,4-dimethyl-1,3-oxazinan-2-one?
The InChIKey is DPQXSSKMJPQYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(2)7-8-16-11(15)14(12)10-6-4-3-5-9(10)13/h3-6H,7-8,13H2,1-2H3.
What are the key properties of 3-(2-aminophenyl)-4,4-dimethyl-1,3-oxazinan-2-one?
3-(2-aminophenyl)-4,4-dimethyl-1,3-oxazinan-2-one has a molecular weight of 220.27 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-4,4-dimethyl-1,3-oxazinan-2-one is sourced from PubChem (CID 105475757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).