6,7-dimethoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazine

C11H15NO3 — CID 82230545

IUPAC6,7-dimethoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOc1cc2c(cc1OC)OCC(C)N2
InChIInChI=1S/C11H15NO3/c1-7-6-15-9-5-11(14-3)10(13-2)4-8(9)12-7/h4-5,7,12H,6H2,1-3H3
InChIKeyFRMWAJPNLJNCIZ-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.90
Rot. Bonds2

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

6,7-dimethoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82230545) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 6,7-dimethoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6,7-dimethoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82230545
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name6,7-dimethoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOc1cc2c(cc1OC)OCC(C)N2
InChIInChI=1S/C11H15NO3/c1-7-6-15-9-5-11(14-3)10(13-2)4-8(9)12-7/h4-5,7,12H,6H2,1-3H3
InChIKeyFRMWAJPNLJNCIZ-UHFFFAOYSA-N
XLogP1.90
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3,6,7-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82229721
6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoxaline
CID 79014891
6-(3,5-dimethylphenyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 116817517
5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
CID 55269219
7,8-dimethoxy-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82231747
3-amino-6,7-dimethoxy-2,3-dihydrochromen-4-one
CID 91622426
tert-butyl N-[(3S)-7,8-dimethoxy-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]carbamate
CID 157046169
17,18-dimethoxy-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene
CID 5251455
7,8-dimethoxy-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 79014767
7-bromo-6-methoxy-3,4-dihydro-2H-1,4-benzoxazine
CID 118224660
ethane;6-fluoro-5-methoxy-2-methyl-2,3-dihydro-1H-indole
CID 145147315
6-methoxy-2,3-dihydro-1-benzofuran-3,5-diamine
CID 55294789

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6,7-dimethoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazine (CID 82230545) is 6,7-dimethoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6,7-dimethoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6,7-dimethoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazine is COc1cc2c(cc1OC)OCC(C)N2.
What is the InChIKey of 6,7-dimethoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is FRMWAJPNLJNCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-6-15-9-5-11(14-3)10(13-2)4-8(9)12-7/h4-5,7,12H,6H2,1-3H3.
What are the key properties of 6,7-dimethoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
6,7-dimethoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 209.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82230545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).