2,6,7-trimethyl-3,4-dihydro-2H-1,4-benzoxazine

C11H15NO — CID 82229720

IUPAC2,6,7-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cc2c(cc1C)OC(C)CN2
InChIInChI=1S/C11H15NO/c1-7-4-10-11(5-8(7)2)13-9(3)6-12-10/h4-5,9,12H,6H2,1-3H3
InChIKeyPMHFVGOMMKOMNO-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.50
Rot. Bonds

About 2,6,7-trimethyl-3,4-dihydro-2H-1,4-benzoxazine

2,6,7-trimethyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82229720) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2,6,7-trimethyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2,6,7-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82229720
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2,6,7-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cc2c(cc1C)OC(C)CN2
InChIInChI=1S/C11H15NO/c1-7-4-10-11(5-8(7)2)13-9(3)6-12-10/h4-5,9,12H,6H2,1-3H3
InChIKeyPMHFVGOMMKOMNO-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-7-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82720878
6-(3-bromo-4-methylphenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 116817481
2-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-ol
CID 69369715
(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94804094
7-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 90244467
2-methyl-6-(2-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116817465
7-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine;ethane
CID 156641344
(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)boronic acid
CID 167718558
N-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine
CID 82059310
2-methyl-6-methylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine
CID 80503022
2,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine
CID 82229766
2,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 79001888

Frequently Asked Questions

What is the IUPAC name of 2,6,7-trimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2,6,7-trimethyl-3,4-dihydro-2H-1,4-benzoxazine (CID 82229720) is 2,6,7-trimethyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2,6,7-trimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2,6,7-trimethyl-3,4-dihydro-2H-1,4-benzoxazine is Cc1cc2c(cc1C)OC(C)CN2.
What is the InChIKey of 2,6,7-trimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is PMHFVGOMMKOMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-7-4-10-11(5-8(7)2)13-9(3)6-12-10/h4-5,9,12H,6H2,1-3H3.
What are the key properties of 2,6,7-trimethyl-3,4-dihydro-2H-1,4-benzoxazine?
2,6,7-trimethyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 177.25 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trimethyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82229720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).