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

C17H17NO2 — CID 4575986

IUPAC4-ethyl-2-(3-methoxyphenyl)-4H-3,1-benzoxazine
SMILESCCC1OC(c2cccc(OC)c2)=Nc2ccccc21
InChIInChI=1S/C17H17NO2/c1-3-16-14-9-4-5-10-15(14)18-17(20-16)12-7-6-8-13(11-12)19-2/h4-11,16H,3H2,1-2H3
InChIKeyGFGKHSBUJMMODB-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.25
Rot. Bonds3

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

4-ethyl-2-(3-methoxyphenyl)-4H-3,1-benzoxazine (PubChem CID 4575986) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-ethyl-2-(3-methoxyphenyl)-4H-3,1-benzoxazine.

Molecular Properties

Compound Name4-ethyl-2-(3-methoxyphenyl)-4H-3,1-benzoxazine
PubChem CID4575986
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name4-ethyl-2-(3-methoxyphenyl)-4H-3,1-benzoxazine
SMILESCCC1OC(c2cccc(OC)c2)=Nc2ccccc21
InChIInChI=1S/C17H17NO2/c1-3-16-14-9-4-5-10-15(14)18-17(20-16)12-7-6-8-13(11-12)19-2/h4-11,16H,3H2,1-2H3
InChIKeyGFGKHSBUJMMODB-UHFFFAOYSA-N
XLogP4.25
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-methoxyphenyl)-4H-3,1-benzoxazine?
The IUPAC name of 4-ethyl-2-(3-methoxyphenyl)-4H-3,1-benzoxazine (CID 4575986) is 4-ethyl-2-(3-methoxyphenyl)-4H-3,1-benzoxazine.
What is the SMILES notation for 4-ethyl-2-(3-methoxyphenyl)-4H-3,1-benzoxazine?
The canonical SMILES for 4-ethyl-2-(3-methoxyphenyl)-4H-3,1-benzoxazine is CCC1OC(c2cccc(OC)c2)=Nc2ccccc21.
What is the InChIKey of 4-ethyl-2-(3-methoxyphenyl)-4H-3,1-benzoxazine?
The InChIKey is GFGKHSBUJMMODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-3-16-14-9-4-5-10-15(14)18-17(20-16)12-7-6-8-13(11-12)19-2/h4-11,16H,3H2,1-2H3.
What are the key properties of 4-ethyl-2-(3-methoxyphenyl)-4H-3,1-benzoxazine?
4-ethyl-2-(3-methoxyphenyl)-4H-3,1-benzoxazine has a molecular weight of 267.33 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-methoxyphenyl)-4H-3,1-benzoxazine is sourced from PubChem (CID 4575986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).