4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine

C17H17NO — CID 23248284

IUPAC4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine
SMILESCCC1OC(c2ccc(C)cc2)=Nc2ccccc21
InChIInChI=1S/C17H17NO/c1-3-16-14-6-4-5-7-15(14)18-17(19-16)13-10-8-12(2)9-11-13/h4-11,16H,3H2,1-2H3
InChIKeyHKBOWIWVASWBOQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.55
Rot. Bonds2

About 4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine

4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine (PubChem CID 23248284) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine.

Molecular Properties

Compound Name4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine
PubChem CID23248284
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine
SMILESCCC1OC(c2ccc(C)cc2)=Nc2ccccc21
InChIInChI=1S/C17H17NO/c1-3-16-14-6-4-5-7-15(14)18-17(19-16)13-10-8-12(2)9-11-13/h4-11,16H,3H2,1-2H3
InChIKeyHKBOWIWVASWBOQ-UHFFFAOYSA-N
XLogP4.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine?
The IUPAC name of 4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine (CID 23248284) is 4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine.
What is the SMILES notation for 4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine?
The canonical SMILES for 4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine is CCC1OC(c2ccc(C)cc2)=Nc2ccccc21.
What is the InChIKey of 4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine?
The InChIKey is HKBOWIWVASWBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-3-16-14-6-4-5-7-15(14)18-17(19-16)13-10-8-12(2)9-11-13/h4-11,16H,3H2,1-2H3.
What are the key properties of 4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine?
4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine has a molecular weight of 251.33 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine is sourced from PubChem (CID 23248284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).