3,3,7-trimethyl-2,4-dihydro-1,4-benzoxazine

C11H15NO — CID 84618421

IUPAC3,3,7-trimethyl-2,4-dihydro-1,4-benzoxazine
SMILESCc1ccc2c(c1)OCC(C)(C)N2
InChIInChI=1S/C11H15NO/c1-8-4-5-9-10(6-8)13-7-11(2,3)12-9/h4-6,12H,7H2,1-3H3
InChIKeyGDOTZRVDDYSMGM-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.58
Rot. Bonds

About 3,3,7-trimethyl-2,4-dihydro-1,4-benzoxazine

3,3,7-trimethyl-2,4-dihydro-1,4-benzoxazine (PubChem CID 84618421) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3,3,7-trimethyl-2,4-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name3,3,7-trimethyl-2,4-dihydro-1,4-benzoxazine
PubChem CID84618421
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3,3,7-trimethyl-2,4-dihydro-1,4-benzoxazine
SMILESCc1ccc2c(c1)OCC(C)(C)N2
InChIInChI=1S/C11H15NO/c1-8-4-5-9-10(6-8)13-7-11(2,3)12-9/h4-6,12H,7H2,1-3H3
InChIKeyGDOTZRVDDYSMGM-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-7-amine
CID 84618446
7-ethyl-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine
CID 90392310
3,7-dimethyl-2,4-dihydro-1,4-benzoxazine-3-carboxylic acid
CID 117110738
3,3-dimethyl-7-(trifluoromethyl)-2,4-dihydro-1,4-benzoxazine
CID 115095228
3,3-dimethyl-2,4-dihydro-1,4-benzoxazine;ethane
CID 142860963
3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-ol
CID 115095335
6-methyl-1H-4,2,1-benzoxathiazine
CID 91370754
ethane;7-methyl-4H-1,4-benzoxazin-3-one
CID 143712087
8-bromo-3,3-dimethyl-4,5-dihydro-2H-1,5-benzoxazepine
CID 82232741
ethane;2,2,7-trimethyl-4H-1,4-benzoxazin-3-one
CID 143767422
2-(3,6-dimethyl-2H-1-benzofuran-3-yl)acetic acid
CID 10845939
5-methyl-1,3-benzodioxole
CID 142082223

Frequently Asked Questions

What is the IUPAC name of 3,3,7-trimethyl-2,4-dihydro-1,4-benzoxazine?
The IUPAC name of 3,3,7-trimethyl-2,4-dihydro-1,4-benzoxazine (CID 84618421) is 3,3,7-trimethyl-2,4-dihydro-1,4-benzoxazine.
What is the SMILES notation for 3,3,7-trimethyl-2,4-dihydro-1,4-benzoxazine?
The canonical SMILES for 3,3,7-trimethyl-2,4-dihydro-1,4-benzoxazine is Cc1ccc2c(c1)OCC(C)(C)N2.
What is the InChIKey of 3,3,7-trimethyl-2,4-dihydro-1,4-benzoxazine?
The InChIKey is GDOTZRVDDYSMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-4-5-9-10(6-8)13-7-11(2,3)12-9/h4-6,12H,7H2,1-3H3.
What are the key properties of 3,3,7-trimethyl-2,4-dihydro-1,4-benzoxazine?
3,3,7-trimethyl-2,4-dihydro-1,4-benzoxazine has a molecular weight of 177.25 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,7-trimethyl-2,4-dihydro-1,4-benzoxazine is sourced from PubChem (CID 84618421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).