2-(3-ethyl-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol

C17H27NO2 — CID 118072994

IUPAC2-(3-ethyl-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol
SMILESCCc1cc(C2(O)OCC(C)(C)NC2C)cc(C)c1C
InChIInChI=1S/C17H27NO2/c1-7-14-9-15(8-11(2)12(14)3)17(19)13(4)18-16(5,6)10-20-17/h8-9,13,18-19H,7,10H2,1-6H3
InChIKeyHBEVREBTXXQXPW-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.80
Rot. Bonds2

About 2-(3-ethyl-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol

2-(3-ethyl-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol (PubChem CID 118072994) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(3-ethyl-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol.

Molecular Properties

Compound Name2-(3-ethyl-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol
PubChem CID118072994
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(3-ethyl-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol
SMILESCCc1cc(C2(O)OCC(C)(C)NC2C)cc(C)c1C
InChIInChI=1S/C17H27NO2/c1-7-14-9-15(8-11(2)12(14)3)17(19)13(4)18-16(5,6)10-20-17/h8-9,13,18-19H,7,10H2,1-6H3
InChIKeyHBEVREBTXXQXPW-UHFFFAOYSA-N
XLogP2.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-ethyl-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol with MolForge

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Related Compounds

Manifaxine
CID 60829
(2S,3S)-2-Phenyl-3,5,5-trimethylmorpholin-2-ol
CID 46837647
(2S,3S)-2-(m-Tolyl)-3,5,5-trimethylmorpholin-2-ol
CID 46837650
(2S,3S)-2-(3-fluorophenyl)-3,5,5-trimethylmorpholin-2-ol
CID 46837648
(2S,3S)-3,5,5-trimethyl-2-(4-methylphenyl)morpholin-2-ol
CID 46837781
(2S,3S)-2-(3,4-difluorophenyl)-3,5,5-trimethylmorpholin-2-ol
CID 46837784
(2S,3S)-2-(3,5-difluorophenyl)-3,5,5-trimethylmorpholin-2-ol
CID 46837785
4-Methylphenmetrazine
CID 43169333
(2S,3S)-3,5,5-trimethyl-2-(3-naphthalen-1-ylphenyl)morpholin-2-ol
CID 49799642
(2S,3S)-3,5,5-trimethyl-2-(3-naphthalen-2-ylphenyl)morpholin-2-ol
CID 49799643
(2S,3S)-2-(4-Fluorophenyl)-3,5,5-trimethylmorpholin-2-ol
CID 46837653
(2S,3S)-2-Biphenyl-4-yl-3,5,5-trimethylmorpholin-2-ol
CID 46837783

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol?
The IUPAC name of 2-(3-ethyl-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol (CID 118072994) is 2-(3-ethyl-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol.
What is the SMILES notation for 2-(3-ethyl-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol?
The canonical SMILES for 2-(3-ethyl-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol is CCc1cc(C2(O)OCC(C)(C)NC2C)cc(C)c1C.
What is the InChIKey of 2-(3-ethyl-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol?
The InChIKey is HBEVREBTXXQXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-7-14-9-15(8-11(2)12(14)3)17(19)13(4)18-16(5,6)10-20-17/h8-9,13,18-19H,7,10H2,1-6H3.
What are the key properties of 2-(3-ethyl-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol?
2-(3-ethyl-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol has a molecular weight of 277.41 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol is sourced from PubChem (CID 118072994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).