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

C11H15NO — CID 83752703

IUPAC3,4,7-trimethyl-2,3-dihydro-1,4-benzoxazine
SMILESCc1ccc2c(c1)OCC(C)N2C
InChIInChI=1S/C11H15NO/c1-8-4-5-10-11(6-8)13-7-9(2)12(10)3/h4-6,9H,7H2,1-3H3
InChIKeyBVKQRUURPWYVNO-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.21
Rot. Bonds

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

3,4,7-trimethyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 83752703) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3,4,7-trimethyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name3,4,7-trimethyl-2,3-dihydro-1,4-benzoxazine
PubChem CID83752703
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3,4,7-trimethyl-2,3-dihydro-1,4-benzoxazine
SMILESCc1ccc2c(c1)OCC(C)N2C
InChIInChI=1S/C11H15NO/c1-8-4-5-10-11(6-8)13-7-9(2)12(10)3/h4-6,9H,7H2,1-3H3
InChIKeyBVKQRUURPWYVNO-UHFFFAOYSA-N
XLogP2.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2,3,4,7-tetramethyl-2,3-dihydro-1,4-benzoxazine
CID 91294862
1,2,6-trimethyl-3,4-dihydro-2H-quinoline
CID 142003653
bis[2-(3,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl] carbonate
CID 23517643
7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-ol
CID 16723715
6-methyl-2,3-dihydro-1-benzofuran-3-ol
CID 13013062
sodium 2-[(3S)-3,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethoxy-oxido-oxo-sulfanylidene-λ6-sulfane
CID 88768573
7-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carbaldehyde
CID 174637124
7-bromo-4-methyl-3-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 116837441
1-[(3S)-3-benzyl-7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 101377131
(3R)-6-bromo-3,4-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 129389119
(2S,3R)-1,2,3,6-tetramethyl-3,4-dihydro-2H-quinoline
CID 139325985
6-methyl-3-propan-2-yl-2,3-dihydro-1-benzofuran
CID 163396140

Frequently Asked Questions

What is the IUPAC name of 3,4,7-trimethyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 3,4,7-trimethyl-2,3-dihydro-1,4-benzoxazine (CID 83752703) is 3,4,7-trimethyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 3,4,7-trimethyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 3,4,7-trimethyl-2,3-dihydro-1,4-benzoxazine is Cc1ccc2c(c1)OCC(C)N2C.
What is the InChIKey of 3,4,7-trimethyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is BVKQRUURPWYVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-4-5-10-11(6-8)13-7-9(2)12(10)3/h4-6,9H,7H2,1-3H3.
What are the key properties of 3,4,7-trimethyl-2,3-dihydro-1,4-benzoxazine?
3,4,7-trimethyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 177.25 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7-trimethyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 83752703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).