(2R,6R)-4-[2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine

C21H35NO3 — CID 2183742

IUPAC(2R,6R)-4-[2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine
SMILESCc1ccc(OCCOCCN2C[C@@H](C)O[C@H](C)C2)c(C(C)(C)C)c1
InChIInChI=1S/C21H35NO3/c1-16-7-8-20(19(13-16)21(4,5)6)24-12-11-23-10-9-22-14-17(2)25-18(3)15-22/h7-8,13,17-18H,9-12,14-15H2,1-6H3/t17-,18-/m1/s1
InChIKeyKPEJMMOWDXLDCV-QZTJIDSGSA-N
MW349.52 g/mol
LogP3.80
Rot. Bonds7

About (2R,6R)-4-[2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine

(2R,6R)-4-[2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine (PubChem CID 2183742) has the molecular formula C21H35NO3 and a molecular weight of 349.52 g/mol. Its IUPAC name is (2R,6R)-4-[2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6R)-4-[2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine
PubChem CID2183742
Molecular FormulaC21H35NO3
Molecular Weight349.52 g/mol
Exact Mass349.26
IUPAC Name(2R,6R)-4-[2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine
SMILESCc1ccc(OCCOCCN2C[C@@H](C)O[C@H](C)C2)c(C(C)(C)C)c1
InChIInChI=1S/C21H35NO3/c1-16-7-8-20(19(13-16)21(4,5)6)24-12-11-23-10-9-22-14-17(2)25-18(3)15-22/h7-8,13,17-18H,9-12,14-15H2,1-6H3/t17-,18-/m1/s1
InChIKeyKPEJMMOWDXLDCV-QZTJIDSGSA-N
XLogP3.80
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 53.80
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

(2R,6R)-4-[2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium
CID 2183741
4-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-2,6-dimethylmorpholine
CID 2935442
(2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 887366
4-[2-[2-(4-chloro-2,3-dimethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine
CID 2934947
1-[4-(2-tert-butyl-4-methylphenoxy)butyl]pyrrolidine
CID 2263098
(2R,6R)-4-[4-(2-tert-butyl-4-methylphenoxy)butyl]-2,6-dimethylmorpholin-4-ium
CID 2181612
(2R,6R)-2,6-dimethyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine
CID 7412761
(2R,6R)-4-[4-(2-chloro-5-methylphenoxy)butyl]-2,6-dimethylmorpholine
CID 2182666
(2R,6R)-4-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethyl]-2,6-dimethylmorpholine
CID 7379777
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

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6R)-4-[2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine (CID 2183742) is (2R,6R)-4-[2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6R)-4-[2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6R)-4-[2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine is Cc1ccc(OCCOCCN2C[C@@H](C)O[C@H](C)C2)c(C(C)(C)C)c1.
What is the InChIKey of (2R,6R)-4-[2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine?
The InChIKey is KPEJMMOWDXLDCV-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H35NO3/c1-16-7-8-20(19(13-16)21(4,5)6)24-12-11-23-10-9-22-14-17(2)25-18(3)15-22/h7-8,13,17-18H,9-12,14-15H2,1-6H3/t17-,18-/m1/s1.
What are the key properties of (2R,6R)-4-[2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine?
(2R,6R)-4-[2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine has a molecular weight of 349.52 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-[2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 2183742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).