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

C17H27NO3 — CID 7394196

IUPAC(2S,6S)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine
SMILESCCCOc1ccccc1OCCN1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C17H27NO3/c1-4-10-19-16-7-5-6-8-17(16)20-11-9-18-12-14(2)21-15(3)13-18/h5-8,14-15H,4,9-13H2,1-3H3/t14-,15-/m0/s1
InChIKeyGKUVMAVOETWVAD-GJZGRUSLSA-N
MW293.41 g/mol
LogP2.96
Rot. Bonds7

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

(2S,6S)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine (PubChem CID 7394196) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine
PubChem CID7394196
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(2S,6S)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine
SMILESCCCOc1ccccc1OCCN1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C17H27NO3/c1-4-10-19-16-7-5-6-8-17(16)20-11-9-18-12-14(2)21-15(3)13-18/h5-8,14-15H,4,9-13H2,1-3H3/t14-,15-/m0/s1
InChIKeyGKUVMAVOETWVAD-GJZGRUSLSA-N
XLogP2.96
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,6R)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine
CID 7394194
2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine
CID 2995550
(2R,6R)-2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine
CID 7379931
(2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine
CID 7394222
(2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine
CID 2582416
1-[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]ethanone
CID 7380447
(2R,6S)-2,6-dimethyl-4-[3-(2-prop-2-enoxyphenoxy)propyl]morpholine
CID 7379543
2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine
CID 2935512
(2R,6R)-2,6-dimethyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine
CID 7412761
(2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 887366
(2S,6S)-4-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]-2,6-dimethylmorpholine
CID 6359907
4-[3-(2-butan-2-ylphenoxy)propyl]-2,6-dimethylmorpholine
CID 2935581

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine?
The IUPAC name of (2S,6S)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine (CID 7394196) is (2S,6S)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine.
What is the SMILES notation for (2S,6S)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine?
The canonical SMILES for (2S,6S)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine is CCCOc1ccccc1OCCN1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of (2S,6S)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine?
The InChIKey is GKUVMAVOETWVAD-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-10-19-16-7-5-6-8-17(16)20-11-9-18-12-14(2)21-15(3)13-18/h5-8,14-15H,4,9-13H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine?
(2S,6S)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine has a molecular weight of 293.41 g/mol, XLogP of 2.96, 7 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-(2-propoxyphenoxy)ethyl]morpholine is sourced from PubChem (CID 7394196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).