3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-ol

C21H35NO2 — CID 171381608

IUPAC3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-ol
SMILESCCC(C)(C)c1ccc(C(O)C(C)CN2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C21H35NO2/c1-7-21(5,6)19-10-8-18(9-11-19)20(23)15(2)12-22-13-16(3)24-17(4)14-22/h8-11,15-17,20,23H,7,12-14H2,1-6H3/t15?,16-,17+,20?
InChIKeyDXLDQUGOHPGYQK-PAVWBUCMSA-N
MW333.52 g/mol
LogP4.15
Rot. Bonds6

About 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-ol

3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-ol (PubChem CID 171381608) has the molecular formula C21H35NO2 and a molecular weight of 333.52 g/mol. Its IUPAC name is 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-ol
PubChem CID171381608
Molecular FormulaC21H35NO2
Molecular Weight333.52 g/mol
Exact Mass333.27
IUPAC Name3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-ol
SMILESCCC(C)(C)c1ccc(C(O)C(C)CN2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C21H35NO2/c1-7-21(5,6)19-10-8-18(9-11-19)20(23)15(2)12-22-13-16(3)24-17(4)14-22/h8-11,15-17,20,23H,7,12-14H2,1-6H3/t15?,16-,17+,20?
InChIKeyDXLDQUGOHPGYQK-PAVWBUCMSA-N
XLogP4.15
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-ol with MolForge

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Related Compounds

2,6-dimethyl-4-[2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine
CID 19893186
(2R,6S)-2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine;phosphoric acid;2H-triazole
CID 174932119
1-(4-tert-butylphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanamine
CID 16786128
2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-2-enyl]morpholine
CID 57251316
2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-1-enyl]morpholine
CID 57278090
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanol
CID 103936768
(2R,6S)-2,6-dimethyl-4-[3,3,3-trideuterio-2-[[3-(2-methylbutan-2-yl)phenyl]methyl]propyl]morpholine
CID 162641436
1-[4-(2-methylbutan-2-yl)phenyl]-2-methylsulfonylpropan-1-ol
CID 104521221
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
4-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-ol
CID 66452172
3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pentan-3-ol
CID 103936738
1-(2,6-dimethylmorpholin-4-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol chloride
CID 21237688

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-ol?
The IUPAC name of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-ol (CID 171381608) is 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-ol?
The canonical SMILES for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-ol is CCC(C)(C)c1ccc(C(O)C(C)CN2C[C@@H](C)O[C@@H](C)C2)cc1.
What is the InChIKey of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-ol?
The InChIKey is DXLDQUGOHPGYQK-PAVWBUCMSA-N. The full InChI is InChI=1S/C21H35NO2/c1-7-21(5,6)19-10-8-18(9-11-19)20(23)15(2)12-22-13-16(3)24-17(4)14-22/h8-11,15-17,20,23H,7,12-14H2,1-6H3/t15?,16-,17+,20?.
What are the key properties of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-ol?
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-ol has a molecular weight of 333.52 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-ol is sourced from PubChem (CID 171381608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).