2,6-dimethyl-4-[2-methyl-3-(4-phenoxyphenyl)propyl]morpholine

C22H29NO2 — CID 14553897

IUPAC2,6-dimethyl-4-[2-methyl-3-(4-phenoxyphenyl)propyl]morpholine
SMILESCC(Cc1ccc(Oc2ccccc2)cc1)CN1CC(C)OC(C)C1
InChIInChI=1S/C22H29NO2/c1-17(14-23-15-18(2)24-19(3)16-23)13-20-9-11-22(12-10-20)25-21-7-5-4-6-8-21/h4-12,17-19H,13-16H2,1-3H3
InChIKeyGFKTYQDVBIHQHS-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.77
Rot. Bonds6

About 2,6-dimethyl-4-[2-methyl-3-(4-phenoxyphenyl)propyl]morpholine

2,6-dimethyl-4-[2-methyl-3-(4-phenoxyphenyl)propyl]morpholine (PubChem CID 14553897) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-methyl-3-(4-phenoxyphenyl)propyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-methyl-3-(4-phenoxyphenyl)propyl]morpholine
PubChem CID14553897
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name2,6-dimethyl-4-[2-methyl-3-(4-phenoxyphenyl)propyl]morpholine
SMILESCC(Cc1ccc(Oc2ccccc2)cc1)CN1CC(C)OC(C)C1
InChIInChI=1S/C22H29NO2/c1-17(14-23-15-18(2)24-19(3)16-23)13-20-9-11-22(12-10-20)25-21-7-5-4-6-8-21/h4-12,17-19H,13-16H2,1-3H3
InChIKeyGFKTYQDVBIHQHS-UHFFFAOYSA-N
XLogP4.77
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]propan-2-yl-methylsilane
CID 173376934
tert-butyl-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]-dimethylsilane
CID 18948836
[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenyl]-triethylsilane
CID 13292181
4-[3-[4-(cyclohexylmethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine
CID 20502162
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylpropan-2-amine
CID 104959145
4-[3-[3-(cyclohexylmethoxy)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine
CID 18948834
2,6-dimethyl-4-[2-methyl-3-(3-phenoxyphenyl)propyl]-4-oxidomorpholin-4-ium
CID 14553816
(2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine
CID 887587
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanol
CID 103936768
(1R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanamine
CID 30072743
[3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yloxy]phenyl]-phenylmethanone
CID 19374751
1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride
CID 21237651

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-methyl-3-(4-phenoxyphenyl)propyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[2-methyl-3-(4-phenoxyphenyl)propyl]morpholine (CID 14553897) is 2,6-dimethyl-4-[2-methyl-3-(4-phenoxyphenyl)propyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[2-methyl-3-(4-phenoxyphenyl)propyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[2-methyl-3-(4-phenoxyphenyl)propyl]morpholine is CC(Cc1ccc(Oc2ccccc2)cc1)CN1CC(C)OC(C)C1.
What is the InChIKey of 2,6-dimethyl-4-[2-methyl-3-(4-phenoxyphenyl)propyl]morpholine?
The InChIKey is GFKTYQDVBIHQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-17(14-23-15-18(2)24-19(3)16-23)13-20-9-11-22(12-10-20)25-21-7-5-4-6-8-21/h4-12,17-19H,13-16H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-[2-methyl-3-(4-phenoxyphenyl)propyl]morpholine?
2,6-dimethyl-4-[2-methyl-3-(4-phenoxyphenyl)propyl]morpholine has a molecular weight of 339.48 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-methyl-3-(4-phenoxyphenyl)propyl]morpholine is sourced from PubChem (CID 14553897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).