2-(3,5-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol

C17H27NO2 — CID 118072938

IUPAC2-(3,5-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol
SMILESCCc1cc(CC)cc(C2(O)OCC(C)(C)NC2C)c1
InChIInChI=1S/C17H27NO2/c1-6-13-8-14(7-2)10-15(9-13)17(19)12(3)18-16(4,5)11-20-17/h8-10,12,18-19H,6-7,11H2,1-5H3
InChIKeyXGPNWSUMVSCMOQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.74
Rot. Bonds3

About 2-(3,5-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol

2-(3,5-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol (PubChem CID 118072938) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(3,5-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol.

Molecular Properties

Compound Name2-(3,5-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol
PubChem CID118072938
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(3,5-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol
SMILESCCc1cc(CC)cc(C2(O)OCC(C)(C)NC2C)c1
InChIInChI=1S/C17H27NO2/c1-6-13-8-14(7-2)10-15(9-13)17(19)12(3)18-16(4,5)11-20-17/h8-10,12,18-19H,6-7,11H2,1-5H3
InChIKeyXGPNWSUMVSCMOQ-UHFFFAOYSA-N
XLogP2.74
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol?
The IUPAC name of 2-(3,5-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol (CID 118072938) is 2-(3,5-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol.
What is the SMILES notation for 2-(3,5-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol?
The canonical SMILES for 2-(3,5-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol is CCc1cc(CC)cc(C2(O)OCC(C)(C)NC2C)c1.
What is the InChIKey of 2-(3,5-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol?
The InChIKey is XGPNWSUMVSCMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-13-8-14(7-2)10-15(9-13)17(19)12(3)18-16(4,5)11-20-17/h8-10,12,18-19H,6-7,11H2,1-5H3.
What are the key properties of 2-(3,5-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol?
2-(3,5-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol has a molecular weight of 277.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol is sourced from PubChem (CID 118072938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).