5,7-dimethyl-3-phenyl-2,4-dihydro-1,3-benzoxazine

C16H17NO — CID 86046984

IUPAC5,7-dimethyl-3-phenyl-2,4-dihydro-1,3-benzoxazine
SMILESCc1cc(C)c2c(c1)OCN(c1ccccc1)C2
InChIInChI=1S/C16H17NO/c1-12-8-13(2)15-10-17(11-18-16(15)9-12)14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3
InChIKeyYQDQVUPVGAMUMM-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.66
Rot. Bonds1

About 5,7-dimethyl-3-phenyl-2,4-dihydro-1,3-benzoxazine

5,7-dimethyl-3-phenyl-2,4-dihydro-1,3-benzoxazine (PubChem CID 86046984) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 5,7-dimethyl-3-phenyl-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name5,7-dimethyl-3-phenyl-2,4-dihydro-1,3-benzoxazine
PubChem CID86046984
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name5,7-dimethyl-3-phenyl-2,4-dihydro-1,3-benzoxazine
SMILESCc1cc(C)c2c(c1)OCN(c1ccccc1)C2
InChIInChI=1S/C16H17NO/c1-12-8-13(2)15-10-17(11-18-16(15)9-12)14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3
InChIKeyYQDQVUPVGAMUMM-UHFFFAOYSA-N
XLogP3.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4,6-trimethylphenyl)-2,4-dihydro-1,3-benzoxazine
CID 102408272
6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine
CID 143809181
4,6-dimethyl-2,3-dihydro-1-benzofuran
CID 23113841
6-(2,4-dihydro-1,3-benzoxazin-3-yl)-3-[3-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-2,4-dihydro-1,3-benzoxazin-6-yl]-2,4-dihydro-1,3-benzoxazine
CID 132528503
carbanide;ethane;bis(3-phenyl-2,4-dihydro-1,3-benzoxazine);propane;yttrium
CID 159812360
3-phenyl-6-propyl-2,4-dihydro-1,3-benzoxazine
CID 144612402
6-ethenyl-3-phenyl-2,4-dihydro-1,3-benzoxazine
CID 132523463
6-methyl-3-phenyl-2,4-dihydro-1,3-oxazine
CID 142853569
3-(3-ethylphenyl)-7-methyl-2,4-dihydro-1,3-benzoxazine
CID 121441320
2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)isoindole-1,3-dione
CID 132556559
2-(4-ethylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine
CID 5050043
methane;tris(3-phenyl-2,4-dihydro-1,3-benzoxazine);3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine;propane
CID 158853295

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-phenyl-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 5,7-dimethyl-3-phenyl-2,4-dihydro-1,3-benzoxazine (CID 86046984) is 5,7-dimethyl-3-phenyl-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 5,7-dimethyl-3-phenyl-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 5,7-dimethyl-3-phenyl-2,4-dihydro-1,3-benzoxazine is Cc1cc(C)c2c(c1)OCN(c1ccccc1)C2.
What is the InChIKey of 5,7-dimethyl-3-phenyl-2,4-dihydro-1,3-benzoxazine?
The InChIKey is YQDQVUPVGAMUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-12-8-13(2)15-10-17(11-18-16(15)9-12)14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3.
What are the key properties of 5,7-dimethyl-3-phenyl-2,4-dihydro-1,3-benzoxazine?
5,7-dimethyl-3-phenyl-2,4-dihydro-1,3-benzoxazine has a molecular weight of 239.32 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-phenyl-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 86046984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).