2-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine

C15H15NO — CID 19748849

IUPAC2-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine
SMILESCC1CN(c2ccccc2)c2ccccc2O1
InChIInChI=1S/C15H15NO/c1-12-11-16(13-7-3-2-4-8-13)14-9-5-6-10-15(14)17-12/h2-10,12H,11H2,1H3
InChIKeyQYVGNOUODCIGPH-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.61
Rot. Bonds1

About 2-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine

2-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 19748849) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name2-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine
PubChem CID19748849
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name2-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine
SMILESCC1CN(c2ccccc2)c2ccccc2O1
InChIInChI=1S/C15H15NO/c1-12-11-16(13-7-3-2-4-8-13)14-9-5-6-10-15(14)17-12/h2-10,12H,11H2,1H3
InChIKeyQYVGNOUODCIGPH-UHFFFAOYSA-N
XLogP3.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine
CID 117007423
4-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine
CID 117007415
(2R)-2-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine
CID 95051819
2-methyl-4-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007407
(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine
CID 19748826
2-methyl-4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine
CID 117007387
2-chloro-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 14880552
N-benzyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 110748689
3-[2-(3,5-dimethylpiperazin-1-yl)ethyl]-1-phenyl-4,2,1-benzoxathiazine
CID 90740631
3,3,3-trifluoro-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
CID 166201745
3-[2-(aminomethyl)phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 105458799
N-(1-naphthalen-1-ylethyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 77467355

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 2-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine (CID 19748849) is 2-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 2-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 2-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine is CC1CN(c2ccccc2)c2ccccc2O1.
What is the InChIKey of 2-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is QYVGNOUODCIGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-12-11-16(13-7-3-2-4-8-13)14-9-5-6-10-15(14)17-12/h2-10,12H,11H2,1H3.
What are the key properties of 2-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine?
2-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 225.29 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 19748849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).