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

C12H16N2O2 — CID 105475739

IUPAC4-(2-aminophenyl)-3,4-dimethyl-1,3-oxazinan-2-one
SMILESCN1C(=O)OCCC1(C)c1ccccc1N
InChIInChI=1S/C12H16N2O2/c1-12(7-8-16-11(15)14(12)2)9-5-3-4-6-10(9)13/h3-6H,7-8,13H2,1-2H3
InChIKeyOYKQTCUWVWPWHW-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.96
Rot. Bonds1

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

4-(2-aminophenyl)-3,4-dimethyl-1,3-oxazinan-2-one (PubChem CID 105475739) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-(2-aminophenyl)-3,4-dimethyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name4-(2-aminophenyl)-3,4-dimethyl-1,3-oxazinan-2-one
PubChem CID105475739
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-(2-aminophenyl)-3,4-dimethyl-1,3-oxazinan-2-one
SMILESCN1C(=O)OCCC1(C)c1ccccc1N
InChIInChI=1S/C12H16N2O2/c1-12(7-8-16-11(15)14(12)2)9-5-3-4-6-10(9)13/h3-6H,7-8,13H2,1-2H3
InChIKeyOYKQTCUWVWPWHW-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenyl)-3,4-dimethyl-1,3-oxazinan-2-one?
The IUPAC name of 4-(2-aminophenyl)-3,4-dimethyl-1,3-oxazinan-2-one (CID 105475739) is 4-(2-aminophenyl)-3,4-dimethyl-1,3-oxazinan-2-one.
What is the SMILES notation for 4-(2-aminophenyl)-3,4-dimethyl-1,3-oxazinan-2-one?
The canonical SMILES for 4-(2-aminophenyl)-3,4-dimethyl-1,3-oxazinan-2-one is CN1C(=O)OCCC1(C)c1ccccc1N.
What is the InChIKey of 4-(2-aminophenyl)-3,4-dimethyl-1,3-oxazinan-2-one?
The InChIKey is OYKQTCUWVWPWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(7-8-16-11(15)14(12)2)9-5-3-4-6-10(9)13/h3-6H,7-8,13H2,1-2H3.
What are the key properties of 4-(2-aminophenyl)-3,4-dimethyl-1,3-oxazinan-2-one?
4-(2-aminophenyl)-3,4-dimethyl-1,3-oxazinan-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenyl)-3,4-dimethyl-1,3-oxazinan-2-one is sourced from PubChem (CID 105475739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).