(2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine

C16H25NO3 — CID 887366

IUPAC(2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine
SMILESCOc1cc(C)ccc1OCCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H25NO3/c1-12-5-6-15(16(9-12)18-4)19-8-7-17-10-13(2)20-14(3)11-17/h5-6,9,13-14H,7-8,10-11H2,1-4H3/t13-,14+
InChIKeyRFFRREGBHLGLNL-OKILXGFUSA-N
MW279.38 g/mol
LogP2.49
Rot. Bonds5

About (2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine

(2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine (PubChem CID 887366) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine
PubChem CID887366
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine
SMILESCOc1cc(C)ccc1OCCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H25NO3/c1-12-5-6-15(16(9-12)18-4)19-8-7-17-10-13(2)20-14(3)11-17/h5-6,9,13-14H,7-8,10-11H2,1-4H3/t13-,14+
InChIKeyRFFRREGBHLGLNL-OKILXGFUSA-N
XLogP2.49
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine with MolForge

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Related Compounds

1-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-3-methoxyphenyl]ethanone
CID 7379476
(2R,6R)-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-2,6-dimethylmorpholine
CID 7413033
(2R,6R)-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 888280
[4-[2-(2,5-dimethylphenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102935690
(2R,6R)-4-[4-(2-chloro-5-methylphenoxy)butyl]-2,6-dimethylmorpholine
CID 2182666
(2R,6S)-4-[2-(4-bromo-2-methylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 888409
(2R,6R)-4-[2-(4-bromo-2-methylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 888410
4-[2-(4-bromo-2-methylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 2936182
(2R,6R)-4-[2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine
CID 2183742
(2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine
CID 2582416
(2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 51970005
(2R,6R)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine
CID 7394194

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine (CID 887366) is (2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine is COc1cc(C)ccc1OCCN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine?
The InChIKey is RFFRREGBHLGLNL-OKILXGFUSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12-5-6-15(16(9-12)18-4)19-8-7-17-10-13(2)20-14(3)11-17/h5-6,9,13-14H,7-8,10-11H2,1-4H3/t13-,14+.
What are the key properties of (2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine?
(2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine has a molecular weight of 279.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 887366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).