3-(2,4,6-trimethylphenyl)-2,4-dihydro-1,3-benzoxazine

C17H19NO — CID 102408272

IUPAC3-(2,4,6-trimethylphenyl)-2,4-dihydro-1,3-benzoxazine
SMILESCc1cc(C)c(N2COc3ccccc3C2)c(C)c1
InChIInChI=1S/C17H19NO/c1-12-8-13(2)17(14(3)9-12)18-10-15-6-4-5-7-16(15)19-11-18/h4-9H,10-11H2,1-3H3
InChIKeyYULBXOIGZBJKMR-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.97
Rot. Bonds1

About 3-(2,4,6-trimethylphenyl)-2,4-dihydro-1,3-benzoxazine

3-(2,4,6-trimethylphenyl)-2,4-dihydro-1,3-benzoxazine (PubChem CID 102408272) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-(2,4,6-trimethylphenyl)-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name3-(2,4,6-trimethylphenyl)-2,4-dihydro-1,3-benzoxazine
PubChem CID102408272
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name3-(2,4,6-trimethylphenyl)-2,4-dihydro-1,3-benzoxazine
SMILESCc1cc(C)c(N2COc3ccccc3C2)c(C)c1
InChIInChI=1S/C17H19NO/c1-12-8-13(2)17(14(3)9-12)18-10-15-6-4-5-7-16(15)19-11-18/h4-9H,10-11H2,1-3H3
InChIKeyYULBXOIGZBJKMR-UHFFFAOYSA-N
XLogP3.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-[4-[[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine;ethane
CID 142370791
5,7-dimethyl-3-phenyl-2,4-dihydro-1,3-benzoxazine
CID 86046984
3-(2,4-dihydro-1,3-benzoxazin-3-ylmethyl)-2,4-dihydro-1,3-benzoxazine;ethane
CID 162155104
6-methyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(6-methyl-2,4-dihydro-1,3-benzoxazin-3-yl)phenyl]phenyl]-2,4-dihydro-1,3-benzoxazine
CID 101158900
3-(3-benzylphenyl)-2,4-dihydro-1,3-benzoxazine
CID 118403247
3-(4-ethenylphenyl)-2,4-dihydro-1,3-benzoxazine
CID 101464312
3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-methylaniline
CID 63189674
1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole
CID 171371589
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
bis[3-(2,4-dihydro-1,3-benzoxazin-3-yl)phenyl]methyl-oxidophosphanium
CID 102030085

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,6-trimethylphenyl)-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 3-(2,4,6-trimethylphenyl)-2,4-dihydro-1,3-benzoxazine (CID 102408272) is 3-(2,4,6-trimethylphenyl)-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 3-(2,4,6-trimethylphenyl)-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 3-(2,4,6-trimethylphenyl)-2,4-dihydro-1,3-benzoxazine is Cc1cc(C)c(N2COc3ccccc3C2)c(C)c1.
What is the InChIKey of 3-(2,4,6-trimethylphenyl)-2,4-dihydro-1,3-benzoxazine?
The InChIKey is YULBXOIGZBJKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-8-13(2)17(14(3)9-12)18-10-15-6-4-5-7-16(15)19-11-18/h4-9H,10-11H2,1-3H3.
What are the key properties of 3-(2,4,6-trimethylphenyl)-2,4-dihydro-1,3-benzoxazine?
3-(2,4,6-trimethylphenyl)-2,4-dihydro-1,3-benzoxazine has a molecular weight of 253.34 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,6-trimethylphenyl)-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 102408272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).