2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)ethanol

C16H25NO2 — CID 103936749

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)ethanol
SMILESCc1cc(C)cc(C(O)CN2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C16H25NO2/c1-11-5-12(2)7-15(6-11)16(18)10-17-8-13(3)19-14(4)9-17/h5-7,13-14,16,18H,8-10H2,1-4H3/t13-,14+,16?
InChIKeyVTRXYPIJXGLCOE-MZBDJJRSSA-N
MW263.38 g/mol
LogP2.45
Rot. Bonds3

About 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)ethanol

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)ethanol (PubChem CID 103936749) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)ethanol
PubChem CID103936749
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)ethanol
SMILESCc1cc(C)cc(C(O)CN2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C16H25NO2/c1-11-5-12(2)7-15(6-11)16(18)10-17-8-13(3)19-14(4)9-17/h5-7,13-14,16,18H,8-10H2,1-4H3/t13-,14+,16?
InChIKeyVTRXYPIJXGLCOE-MZBDJJRSSA-N
XLogP2.45
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)propan-1-ol
CID 104960773
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanol
CID 103936768
1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanol
CID 110885591
1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylphenoxy)propan-2-ol chloride
CID 21237837
2-(azepan-1-yl)-1-(3,5-dimethylphenyl)ethanol
CID 79040152
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 103936755
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(3,5-dimethylphenyl)ethanol
CID 111487620
2-(2,6-dimethylmorpholin-4-yl)-1-(3-methylphenyl)ethanamine
CID 61310482
1-(3,5-dimethylphenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanol
CID 79037737
2-(4-tert-butylpiperazin-1-yl)-1-(3,5-dimethylphenyl)ethanol
CID 79037151
1-[4-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 111476069

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)ethanol?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)ethanol (CID 103936749) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)ethanol.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)ethanol?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)ethanol is Cc1cc(C)cc(C(O)CN2C[C@@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)ethanol?
The InChIKey is VTRXYPIJXGLCOE-MZBDJJRSSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-5-12(2)7-15(6-11)16(18)10-17-8-13(3)19-14(4)9-17/h5-7,13-14,16,18H,8-10H2,1-4H3/t13-,14+,16?.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)ethanol?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)ethanol has a molecular weight of 263.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)ethanol is sourced from PubChem (CID 103936749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).