2-ethyl-3,4,4,6-tetramethyl-2-(2-phenylethyl)-1,3-oxazinane

C18H29NO — CID 86068110

IUPAC2-ethyl-3,4,4,6-tetramethyl-2-(2-phenylethyl)-1,3-oxazinane
SMILESCCC1(CCc2ccccc2)OC(C)CC(C)(C)N1C
InChIInChI=1S/C18H29NO/c1-6-18(13-12-16-10-8-7-9-11-16)19(5)17(3,4)14-15(2)20-18/h7-11,15H,6,12-14H2,1-5H3
InChIKeyJBOSGYJORUYROE-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.24
Rot. Bonds4

About 2-ethyl-3,4,4,6-tetramethyl-2-(2-phenylethyl)-1,3-oxazinane

2-ethyl-3,4,4,6-tetramethyl-2-(2-phenylethyl)-1,3-oxazinane (PubChem CID 86068110) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-ethyl-3,4,4,6-tetramethyl-2-(2-phenylethyl)-1,3-oxazinane.

Molecular Properties

Compound Name2-ethyl-3,4,4,6-tetramethyl-2-(2-phenylethyl)-1,3-oxazinane
PubChem CID86068110
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-ethyl-3,4,4,6-tetramethyl-2-(2-phenylethyl)-1,3-oxazinane
SMILESCCC1(CCc2ccccc2)OC(C)CC(C)(C)N1C
InChIInChI=1S/C18H29NO/c1-6-18(13-12-16-10-8-7-9-11-16)19(5)17(3,4)14-15(2)20-18/h7-11,15H,6,12-14H2,1-5H3
InChIKeyJBOSGYJORUYROE-UHFFFAOYSA-N
XLogP4.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4,4,6-tetramethyl-2-(2-phenylethyl)-1,3-oxazinane?
The IUPAC name of 2-ethyl-3,4,4,6-tetramethyl-2-(2-phenylethyl)-1,3-oxazinane (CID 86068110) is 2-ethyl-3,4,4,6-tetramethyl-2-(2-phenylethyl)-1,3-oxazinane.
What is the SMILES notation for 2-ethyl-3,4,4,6-tetramethyl-2-(2-phenylethyl)-1,3-oxazinane?
The canonical SMILES for 2-ethyl-3,4,4,6-tetramethyl-2-(2-phenylethyl)-1,3-oxazinane is CCC1(CCc2ccccc2)OC(C)CC(C)(C)N1C.
What is the InChIKey of 2-ethyl-3,4,4,6-tetramethyl-2-(2-phenylethyl)-1,3-oxazinane?
The InChIKey is JBOSGYJORUYROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-18(13-12-16-10-8-7-9-11-16)19(5)17(3,4)14-15(2)20-18/h7-11,15H,6,12-14H2,1-5H3.
What are the key properties of 2-ethyl-3,4,4,6-tetramethyl-2-(2-phenylethyl)-1,3-oxazinane?
2-ethyl-3,4,4,6-tetramethyl-2-(2-phenylethyl)-1,3-oxazinane has a molecular weight of 275.44 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4,4,6-tetramethyl-2-(2-phenylethyl)-1,3-oxazinane is sourced from PubChem (CID 86068110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).