2-ethoxy-2,4-dimethyl-1,3-benzoxazine

C12H15NO2 — CID 121012838

IUPAC2-ethoxy-2,4-dimethyl-1,3-benzoxazine
SMILESCCOC1(C)N=C(C)c2ccccc2O1
InChIInChI=1S/C12H15NO2/c1-4-14-12(3)13-9(2)10-7-5-6-8-11(10)15-12/h5-8H,4H2,1-3H3
InChIKeyFJQUYJILLRWIFK-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.60
Rot. Bonds2

About 2-ethoxy-2,4-dimethyl-1,3-benzoxazine

2-ethoxy-2,4-dimethyl-1,3-benzoxazine (PubChem CID 121012838) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-ethoxy-2,4-dimethyl-1,3-benzoxazine.

Molecular Properties

Compound Name2-ethoxy-2,4-dimethyl-1,3-benzoxazine
PubChem CID121012838
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-ethoxy-2,4-dimethyl-1,3-benzoxazine
SMILESCCOC1(C)N=C(C)c2ccccc2O1
InChIInChI=1S/C12H15NO2/c1-4-14-12(3)13-9(2)10-7-5-6-8-11(10)15-12/h5-8H,4H2,1-3H3
InChIKeyFJQUYJILLRWIFK-UHFFFAOYSA-N
XLogP2.60
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 5824625
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CID 5357042
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CID 137653133
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CID 339125
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CID 5465886
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CID 6338892
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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2,4-dimethyl-1,3-benzoxazine?
The IUPAC name of 2-ethoxy-2,4-dimethyl-1,3-benzoxazine (CID 121012838) is 2-ethoxy-2,4-dimethyl-1,3-benzoxazine.
What is the SMILES notation for 2-ethoxy-2,4-dimethyl-1,3-benzoxazine?
The canonical SMILES for 2-ethoxy-2,4-dimethyl-1,3-benzoxazine is CCOC1(C)N=C(C)c2ccccc2O1.
What is the InChIKey of 2-ethoxy-2,4-dimethyl-1,3-benzoxazine?
The InChIKey is FJQUYJILLRWIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-4-14-12(3)13-9(2)10-7-5-6-8-11(10)15-12/h5-8H,4H2,1-3H3.
What are the key properties of 2-ethoxy-2,4-dimethyl-1,3-benzoxazine?
2-ethoxy-2,4-dimethyl-1,3-benzoxazine has a molecular weight of 205.26 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2,4-dimethyl-1,3-benzoxazine is sourced from PubChem (CID 121012838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).