(2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine

C20H25NO3 — CID 887587

IUPAC(2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine
SMILESC[C@H]1CN(CCOc2cccc(Oc3ccccc3)c2)C[C@H](C)O1
InChIInChI=1S/C20H25NO3/c1-16-14-21(15-17(2)23-16)11-12-22-19-9-6-10-20(13-19)24-18-7-4-3-5-8-18/h3-10,13,16-17H,11-12,14-15H2,1-2H3/t16-,17-/m0/s1
InChIKeyAUKVZJDZUISANR-IRXDYDNUSA-N
MW327.42 g/mol
LogP3.97
Rot. Bonds6

About (2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine

(2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine (PubChem CID 887587) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine
PubChem CID887587
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine
SMILESC[C@H]1CN(CCOc2cccc(Oc3ccccc3)c2)C[C@H](C)O1
InChIInChI=1S/C20H25NO3/c1-16-14-21(15-17(2)23-16)11-12-22-19-9-6-10-20(13-19)24-18-7-4-3-5-8-18/h3-10,13,16-17H,11-12,14-15H2,1-2H3/t16-,17-/m0/s1
InChIKeyAUKVZJDZUISANR-IRXDYDNUSA-N
XLogP3.97
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine
CID 7394222
(2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 51970005
(2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine
CID 7379895
4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934905
3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline
CID 43365509
(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182958
3,5-dimethyl-1-[2-[2-(3-phenoxyphenoxy)ethoxy]ethyl]piperidine;oxalic acid
CID 2935913
(2R,6R)-4-[2-(4-fluorophenoxy)ethyl]-2,6-dimethylmorpholine
CID 888238
[4-[2-(3-chlorophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102935770
4-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934633
4-[3-(3-ethylphenoxy)propyl]-2,6-dimethylmorpholine;oxalic acid
CID 2935433
1-[3-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7379667

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine?
The IUPAC name of (2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine (CID 887587) is (2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine.
What is the SMILES notation for (2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine?
The canonical SMILES for (2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine is C[C@H]1CN(CCOc2cccc(Oc3ccccc3)c2)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine?
The InChIKey is AUKVZJDZUISANR-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H25NO3/c1-16-14-21(15-17(2)23-16)11-12-22-19-9-6-10-20(13-19)24-18-7-4-3-5-8-18/h3-10,13,16-17H,11-12,14-15H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine?
(2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine has a molecular weight of 327.42 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine is sourced from PubChem (CID 887587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).