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

C17H27NO2 — CID 104960773

IUPAC3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)propan-1-ol
SMILESCc1cc(C)cc(C(O)CCN2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C17H27NO2/c1-12-7-13(2)9-16(8-12)17(19)5-6-18-10-14(3)20-15(4)11-18/h7-9,14-15,17,19H,5-6,10-11H2,1-4H3/t14-,15+,17?
InChIKeyLGXUMSQQVPTGHN-FKEKPDDDSA-N
MW277.41 g/mol
LogP2.84
Rot. Bonds4

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

3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)propan-1-ol (PubChem CID 104960773) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)propan-1-ol
PubChem CID104960773
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)propan-1-ol
SMILESCc1cc(C)cc(C(O)CCN2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C17H27NO2/c1-12-7-13(2)9-16(8-12)17(19)5-6-18-10-14(3)20-15(4)11-18/h7-9,14-15,17,19H,5-6,10-11H2,1-4H3/t14-,15+,17?
InChIKeyLGXUMSQQVPTGHN-FKEKPDDDSA-N
XLogP2.84
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)ethanol
CID 103936749
1-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol
CID 104960789
1-(3,5-dimethylphenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
CID 103502832
1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol
CID 82073803
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methylphenyl)propan-1-amine
CID 104960603
(2S,6R)-2,6-dimethyl-4-[4-(3-methyl-5-propan-2-ylphenoxy)butyl]morpholine
CID 2181705
1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylphenoxy)propan-2-ol chloride
CID 21237837
1-amino-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butan-2-ol
CID 104961406
1-(3,5-dimethylphenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 102886666
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
CID 102936466
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanol
CID 103936768
ethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate
CID 104960242

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)propan-1-ol (CID 104960773) is 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)propan-1-ol is Cc1cc(C)cc(C(O)CCN2C[C@@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)propan-1-ol?
The InChIKey is LGXUMSQQVPTGHN-FKEKPDDDSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12-7-13(2)9-16(8-12)17(19)5-6-18-10-14(3)20-15(4)11-18/h7-9,14-15,17,19H,5-6,10-11H2,1-4H3/t14-,15+,17?.
What are the key properties of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)propan-1-ol?
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)propan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 104960773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).