2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanol

C14H21NO2 — CID 103936768

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanol
SMILESC[C@@H]1CN(CC(O)c2ccccc2)C[C@H](C)O1
InChIInChI=1S/C14H21NO2/c1-11-8-15(9-12(2)17-11)10-14(16)13-6-4-3-5-7-13/h3-7,11-12,14,16H,8-10H2,1-2H3/t11-,12+,14?
InChIKeySSOPCJHJRAAACK-ONXXMXGDSA-N
MW235.33 g/mol
LogP1.83
Rot. Bonds3

About 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanol

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanol (PubChem CID 103936768) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanol
PubChem CID103936768
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanol
SMILESC[C@@H]1CN(CC(O)c2ccccc2)C[C@H](C)O1
InChIInChI=1S/C14H21NO2/c1-11-8-15(9-12(2)17-11)10-14(16)13-6-4-3-5-7-13/h3-7,11-12,14,16H,8-10H2,1-2H3/t11-,12+,14?
InChIKeySSOPCJHJRAAACK-ONXXMXGDSA-N
XLogP1.83
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanol
CID 110885591
(1R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanamine
CID 30072743
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 103936755
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)ethanol
CID 103936749
1-(2-hydroxy-2-phenylethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721423
3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-2-phenylpropanimidamide
CID 77043553
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethyl]propan-1-amine
CID 104958381
3-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-one
CID 55094936
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylpropan-2-amine
CID 104959145
1-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol
CID 104960789
1-(2,6-dimethylmorpholin-4-yl)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 56799359

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanol?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanol (CID 103936768) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanol.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanol?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanol is C[C@@H]1CN(CC(O)c2ccccc2)C[C@H](C)O1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanol?
The InChIKey is SSOPCJHJRAAACK-ONXXMXGDSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-8-15(9-12(2)17-11)10-14(16)13-6-4-3-5-7-13/h3-7,11-12,14,16H,8-10H2,1-2H3/t11-,12+,14?.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanol?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanol has a molecular weight of 235.33 g/mol, XLogP of 1.83, 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-phenylethanol is sourced from PubChem (CID 103936768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).