(2S,6S)-4-[4-(4-methoxyphenoxy)but-2-ynyl]-2,6-dimethylmorpholine

C17H23NO3 — CID 2194966

IUPAC(2S,6S)-4-[4-(4-methoxyphenoxy)but-2-ynyl]-2,6-dimethylmorpholine
SMILESCOc1ccc(OCC#CCN2C[C@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C17H23NO3/c1-14-12-18(13-15(2)21-14)10-4-5-11-20-17-8-6-16(19-3)7-9-17/h6-9,14-15H,10-13H2,1-3H3/t14-,15-/m0/s1
InChIKeySJHVBGUINXPXAF-GJZGRUSLSA-N
MW289.38 g/mol
LogP2.19
Rot. Bonds4

About (2S,6S)-4-[4-(4-methoxyphenoxy)but-2-ynyl]-2,6-dimethylmorpholine

(2S,6S)-4-[4-(4-methoxyphenoxy)but-2-ynyl]-2,6-dimethylmorpholine (PubChem CID 2194966) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S,6S)-4-[4-(4-methoxyphenoxy)but-2-ynyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6S)-4-[4-(4-methoxyphenoxy)but-2-ynyl]-2,6-dimethylmorpholine
PubChem CID2194966
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name(2S,6S)-4-[4-(4-methoxyphenoxy)but-2-ynyl]-2,6-dimethylmorpholine
SMILESCOc1ccc(OCC#CCN2C[C@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C17H23NO3/c1-14-12-18(13-15(2)21-14)10-4-5-11-20-17-8-6-16(19-3)7-9-17/h6-9,14-15H,10-13H2,1-3H3/t14-,15-/m0/s1
InChIKeySJHVBGUINXPXAF-GJZGRUSLSA-N
XLogP2.19
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,6R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylmorpholine
CID 94017624
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 2378377
N-[4-(4-methoxyphenoxy)but-2-ynyl]cyclopentanamine
CID 2195603
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-(4-methoxyphenoxy)butanamide
CID 55521788
4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]benzonitrile
CID 7380226
(2R,6R)-4-[2-(4-fluorophenoxy)ethyl]-2,6-dimethylmorpholine
CID 888238
cyclohexyl-[4-(4-methoxyphenoxy)but-2-ynyl]azanium
CID 2195255
4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 36642356
1-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-3-[(4-methoxyphenyl)methyl]thiourea
CID 51940497
(2S,6S)-4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182517
tert-butyl-[4-(4-methoxyphenoxy)but-2-ynyl]azanium
CID 2194762
4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2851611

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-[4-(4-methoxyphenoxy)but-2-ynyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6S)-4-[4-(4-methoxyphenoxy)but-2-ynyl]-2,6-dimethylmorpholine (CID 2194966) is (2S,6S)-4-[4-(4-methoxyphenoxy)but-2-ynyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6S)-4-[4-(4-methoxyphenoxy)but-2-ynyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6S)-4-[4-(4-methoxyphenoxy)but-2-ynyl]-2,6-dimethylmorpholine is COc1ccc(OCC#CCN2C[C@H](C)O[C@@H](C)C2)cc1.
What is the InChIKey of (2S,6S)-4-[4-(4-methoxyphenoxy)but-2-ynyl]-2,6-dimethylmorpholine?
The InChIKey is SJHVBGUINXPXAF-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H23NO3/c1-14-12-18(13-15(2)21-14)10-4-5-11-20-17-8-6-16(19-3)7-9-17/h6-9,14-15H,10-13H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of (2S,6S)-4-[4-(4-methoxyphenoxy)but-2-ynyl]-2,6-dimethylmorpholine?
(2S,6S)-4-[4-(4-methoxyphenoxy)but-2-ynyl]-2,6-dimethylmorpholine has a molecular weight of 289.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-[4-(4-methoxyphenoxy)but-2-ynyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 2194966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).