2,4-dimethyl-4-phenyl-5,6-dihydro-1,3-oxazine

C12H15NO — CID 576242

IUPAC2,4-dimethyl-4-phenyl-5,6-dihydro-1,3-oxazine
SMILESCC1=NC(C)(c2ccccc2)CCO1
InChIInChI=1S/C12H15NO/c1-10-13-12(2,8-9-14-10)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3
InChIKeyWYOTVQDEMVRUNJ-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.74
Rot. Bonds1

About 2,4-dimethyl-4-phenyl-5,6-dihydro-1,3-oxazine

2,4-dimethyl-4-phenyl-5,6-dihydro-1,3-oxazine (PubChem CID 576242) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,4-dimethyl-4-phenyl-5,6-dihydro-1,3-oxazine.

Molecular Properties

Compound Name2,4-dimethyl-4-phenyl-5,6-dihydro-1,3-oxazine
PubChem CID576242
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2,4-dimethyl-4-phenyl-5,6-dihydro-1,3-oxazine
SMILESCC1=NC(C)(c2ccccc2)CCO1
InChIInChI=1S/C12H15NO/c1-10-13-12(2,8-9-14-10)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3
InChIKeyWYOTVQDEMVRUNJ-UHFFFAOYSA-N
XLogP2.74
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4-phenyl-5,6-dihydro-1,3-oxazine?
The IUPAC name of 2,4-dimethyl-4-phenyl-5,6-dihydro-1,3-oxazine (CID 576242) is 2,4-dimethyl-4-phenyl-5,6-dihydro-1,3-oxazine.
What is the SMILES notation for 2,4-dimethyl-4-phenyl-5,6-dihydro-1,3-oxazine?
The canonical SMILES for 2,4-dimethyl-4-phenyl-5,6-dihydro-1,3-oxazine is CC1=NC(C)(c2ccccc2)CCO1.
What is the InChIKey of 2,4-dimethyl-4-phenyl-5,6-dihydro-1,3-oxazine?
The InChIKey is WYOTVQDEMVRUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-10-13-12(2,8-9-14-10)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3.
What are the key properties of 2,4-dimethyl-4-phenyl-5,6-dihydro-1,3-oxazine?
2,4-dimethyl-4-phenyl-5,6-dihydro-1,3-oxazine has a molecular weight of 189.26 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4-phenyl-5,6-dihydro-1,3-oxazine is sourced from PubChem (CID 576242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).