(2R,6R)-2,6-dimethyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine

C22H29NO3 — CID 7412761

IUPAC(2R,6R)-2,6-dimethyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine
SMILESC[C@@H]1CN(CCOCCOc2ccccc2-c2ccccc2)C[C@@H](C)O1
InChIInChI=1S/C22H29NO3/c1-18-16-23(17-19(2)26-18)12-13-24-14-15-25-22-11-7-6-10-21(22)20-8-4-3-5-9-20/h3-11,18-19H,12-17H2,1-2H3/t18-,19-/m1/s1
InChIKeyMEXFMTUUBLFXRD-RTBURBONSA-N
MW355.48 g/mol
LogP3.86
Rot. Bonds8

About (2R,6R)-2,6-dimethyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine

(2R,6R)-2,6-dimethyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine (PubChem CID 7412761) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine
PubChem CID7412761
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name(2R,6R)-2,6-dimethyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine
SMILESC[C@@H]1CN(CCOCCOc2ccccc2-c2ccccc2)C[C@@H](C)O1
InChIInChI=1S/C22H29NO3/c1-18-16-23(17-19(2)26-18)12-13-24-14-15-25-22-11-7-6-10-21(22)20-8-4-3-5-9-20/h3-11,18-19H,12-17H2,1-2H3/t18-,19-/m1/s1
InChIKeyMEXFMTUUBLFXRD-RTBURBONSA-N
XLogP3.86
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine
CID 2935512
2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholine;oxalic acid
CID 2936091
1-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine
CID 2923305
2-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]benzonitrile
CID 7394111
2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzaldehyde;hydrochloride
CID 2993765
1-[2-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7380391
1-benzyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine
CID 2977898
(2R,6R)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine
CID 7394194
(2S,6S)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine
CID 7394196
4-[2-[2-(4-chloro-2,3-dimethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine
CID 2934947
(2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine
CID 2582416
2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine
CID 2995550

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine?
The IUPAC name of (2R,6R)-2,6-dimethyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine (CID 7412761) is (2R,6R)-2,6-dimethyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine?
The canonical SMILES for (2R,6R)-2,6-dimethyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine is C[C@@H]1CN(CCOCCOc2ccccc2-c2ccccc2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-2,6-dimethyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine?
The InChIKey is MEXFMTUUBLFXRD-RTBURBONSA-N. The full InChI is InChI=1S/C22H29NO3/c1-18-16-23(17-19(2)26-18)12-13-24-14-15-25-22-11-7-6-10-21(22)20-8-4-3-5-9-20/h3-11,18-19H,12-17H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine?
(2R,6R)-2,6-dimethyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine has a molecular weight of 355.48 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine is sourced from PubChem (CID 7412761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).