3-(2,3,5,6-tetramethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine

C18H21NO — CID 116837220

IUPAC3-(2,3,5,6-tetramethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cc(C)c(C)c(C2COc3ccccc3N2)c1C
InChIInChI=1S/C18H21NO/c1-11-9-12(2)14(4)18(13(11)3)16-10-20-17-8-6-5-7-15(17)19-16/h5-9,16,19H,10H2,1-4H3
InChIKeyDSKWSEMUWCTSAS-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.47
Rot. Bonds1

About 3-(2,3,5,6-tetramethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine

3-(2,3,5,6-tetramethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 116837220) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-(2,3,5,6-tetramethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name3-(2,3,5,6-tetramethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID116837220
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-(2,3,5,6-tetramethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cc(C)c(C)c(C2COc3ccccc3N2)c1C
InChIInChI=1S/C18H21NO/c1-11-9-12(2)14(4)18(13(11)3)16-10-20-17-8-6-5-7-15(17)19-16/h5-9,16,19H,10H2,1-4H3
InChIKeyDSKWSEMUWCTSAS-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,5,6-tetramethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 3-(2,3,5,6-tetramethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 116837220) is 3-(2,3,5,6-tetramethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 3-(2,3,5,6-tetramethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 3-(2,3,5,6-tetramethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine is Cc1cc(C)c(C)c(C2COc3ccccc3N2)c1C.
What is the InChIKey of 3-(2,3,5,6-tetramethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is DSKWSEMUWCTSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-11-9-12(2)14(4)18(13(11)3)16-10-20-17-8-6-5-7-15(17)19-16/h5-9,16,19H,10H2,1-4H3.
What are the key properties of 3-(2,3,5,6-tetramethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
3-(2,3,5,6-tetramethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 267.37 g/mol, XLogP of 4.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,5,6-tetramethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 116837220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).