2,2-dimethyl-6-phenyl-3,4-dihydro-1,4-benzoxazine

C16H17NO — CID 83789523

IUPAC2,2-dimethyl-6-phenyl-3,4-dihydro-1,4-benzoxazine
SMILESCC1(C)CNc2cc(-c3ccccc3)ccc2O1
InChIInChI=1S/C16H17NO/c1-16(2)11-17-14-10-13(8-9-15(14)18-16)12-6-4-3-5-7-12/h3-10,17H,11H2,1-2H3
InChIKeyXURMMNLOWYJWPH-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.94
Rot. Bonds1

About 2,2-dimethyl-6-phenyl-3,4-dihydro-1,4-benzoxazine

2,2-dimethyl-6-phenyl-3,4-dihydro-1,4-benzoxazine (PubChem CID 83789523) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2,2-dimethyl-6-phenyl-3,4-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name2,2-dimethyl-6-phenyl-3,4-dihydro-1,4-benzoxazine
PubChem CID83789523
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2,2-dimethyl-6-phenyl-3,4-dihydro-1,4-benzoxazine
SMILESCC1(C)CNc2cc(-c3ccccc3)ccc2O1
InChIInChI=1S/C16H17NO/c1-16(2)11-17-14-10-13(8-9-15(14)18-16)12-6-4-3-5-7-12/h3-10,17H,11H2,1-2H3
InChIKeyXURMMNLOWYJWPH-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-phenyl-3,4-dihydro-1,4-benzoxazine?
The IUPAC name of 2,2-dimethyl-6-phenyl-3,4-dihydro-1,4-benzoxazine (CID 83789523) is 2,2-dimethyl-6-phenyl-3,4-dihydro-1,4-benzoxazine.
What is the SMILES notation for 2,2-dimethyl-6-phenyl-3,4-dihydro-1,4-benzoxazine?
The canonical SMILES for 2,2-dimethyl-6-phenyl-3,4-dihydro-1,4-benzoxazine is CC1(C)CNc2cc(-c3ccccc3)ccc2O1.
What is the InChIKey of 2,2-dimethyl-6-phenyl-3,4-dihydro-1,4-benzoxazine?
The InChIKey is XURMMNLOWYJWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-16(2)11-17-14-10-13(8-9-15(14)18-16)12-6-4-3-5-7-12/h3-10,17H,11H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-phenyl-3,4-dihydro-1,4-benzoxazine?
2,2-dimethyl-6-phenyl-3,4-dihydro-1,4-benzoxazine has a molecular weight of 239.32 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-phenyl-3,4-dihydro-1,4-benzoxazine is sourced from PubChem (CID 83789523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).