4-(2-ethoxyethyl)-6-methyl-3-methylidene-1,4-benzoxazine

C14H19NO2 — CID 143253729

IUPAC4-(2-ethoxyethyl)-6-methyl-3-methylidene-1,4-benzoxazine
SMILESC=C1COc2ccc(C)cc2N1CCOCC
InChIInChI=1S/C14H19NO2/c1-4-16-8-7-15-12(3)10-17-14-6-5-11(2)9-13(14)15/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyOAPULJVJXUQTMN-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.74
Rot. Bonds4

About 4-(2-ethoxyethyl)-6-methyl-3-methylidene-1,4-benzoxazine

4-(2-ethoxyethyl)-6-methyl-3-methylidene-1,4-benzoxazine (PubChem CID 143253729) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(2-ethoxyethyl)-6-methyl-3-methylidene-1,4-benzoxazine.

Molecular Properties

Compound Name4-(2-ethoxyethyl)-6-methyl-3-methylidene-1,4-benzoxazine
PubChem CID143253729
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-(2-ethoxyethyl)-6-methyl-3-methylidene-1,4-benzoxazine
SMILESC=C1COc2ccc(C)cc2N1CCOCC
InChIInChI=1S/C14H19NO2/c1-4-16-8-7-15-12(3)10-17-14-6-5-11(2)9-13(14)15/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyOAPULJVJXUQTMN-UHFFFAOYSA-N
XLogP2.74
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethyl)-6-methyl-3-methylidene-1,4-benzoxazine?
The IUPAC name of 4-(2-ethoxyethyl)-6-methyl-3-methylidene-1,4-benzoxazine (CID 143253729) is 4-(2-ethoxyethyl)-6-methyl-3-methylidene-1,4-benzoxazine.
What is the SMILES notation for 4-(2-ethoxyethyl)-6-methyl-3-methylidene-1,4-benzoxazine?
The canonical SMILES for 4-(2-ethoxyethyl)-6-methyl-3-methylidene-1,4-benzoxazine is C=C1COc2ccc(C)cc2N1CCOCC.
What is the InChIKey of 4-(2-ethoxyethyl)-6-methyl-3-methylidene-1,4-benzoxazine?
The InChIKey is OAPULJVJXUQTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-16-8-7-15-12(3)10-17-14-6-5-11(2)9-13(14)15/h5-6,9H,3-4,7-8,10H2,1-2H3.
What are the key properties of 4-(2-ethoxyethyl)-6-methyl-3-methylidene-1,4-benzoxazine?
4-(2-ethoxyethyl)-6-methyl-3-methylidene-1,4-benzoxazine has a molecular weight of 233.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethyl)-6-methyl-3-methylidene-1,4-benzoxazine is sourced from PubChem (CID 143253729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).