6-methoxy-2-methyl-3,4-dihydro-2H-1,4-benzoxazine

C10H13NO2 — CID 54595686

IUPAC6-methoxy-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOc1ccc2c(c1)NCC(C)O2
InChIInChI=1S/C10H13NO2/c1-7-6-11-9-5-8(12-2)3-4-10(9)13-7/h3-5,7,11H,6H2,1-2H3
InChIKeyPNYPRNZOFMKVSJ-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.89
Rot. Bonds1

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

6-methoxy-2-methyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 54595686) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-methoxy-2-methyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-methoxy-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID54595686
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name6-methoxy-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOc1ccc2c(c1)NCC(C)O2
InChIInChI=1S/C10H13NO2/c1-7-6-11-9-5-8(12-2)3-4-10(9)13-7/h3-5,7,11H,6H2,1-2H3
InChIKeyPNYPRNZOFMKVSJ-UHFFFAOYSA-N
XLogP1.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-methoxy-2-methyl-3,4-dihydro-2H-1,4-benzoxazine (CID 54595686) is 6-methoxy-2-methyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-methoxy-2-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-methoxy-2-methyl-3,4-dihydro-2H-1,4-benzoxazine is COc1ccc2c(c1)NCC(C)O2.
What is the InChIKey of 6-methoxy-2-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is PNYPRNZOFMKVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-6-11-9-5-8(12-2)3-4-10(9)13-7/h3-5,7,11H,6H2,1-2H3.
What are the key properties of 6-methoxy-2-methyl-3,4-dihydro-2H-1,4-benzoxazine?
6-methoxy-2-methyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 179.22 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 54595686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).