(2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine

C17H27NO3 — CID 7394222

IUPAC(2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine
SMILESCCCOc1cccc(OCCN2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C17H27NO3/c1-4-9-19-16-6-5-7-17(11-16)20-10-8-18-12-14(2)21-15(3)13-18/h5-7,11,14-15H,4,8-10,12-13H2,1-3H3/t14-,15+
InChIKeyFXFXRIWWKCDPEW-GASCZTMLSA-N
MW293.41 g/mol
LogP2.96
Rot. Bonds7

About (2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine

(2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine (PubChem CID 7394222) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine
PubChem CID7394222
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine
SMILESCCCOc1cccc(OCCN2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C17H27NO3/c1-4-9-19-16-6-5-7-17(11-16)20-10-8-18-12-14(2)21-15(3)13-18/h5-7,11,14-15H,4,8-10,12-13H2,1-3H3/t14-,15+
InChIKeyFXFXRIWWKCDPEW-GASCZTMLSA-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

(2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine
CID 887587
(2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 51970005
(2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine
CID 7379895
4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934905
(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
3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline
CID 43365509
(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182958
1-ethyl-4-[2-(3-propoxyphenoxy)ethyl]piperazine
CID 2215919
(2R,6R)-4-[2-(4-fluorophenoxy)ethyl]-2,6-dimethylmorpholine
CID 888238
[4-[2-(3-chlorophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102935770
4-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934633

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine (CID 7394222) is (2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine is CCCOc1cccc(OCCN2C[C@@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine?
The InChIKey is FXFXRIWWKCDPEW-GASCZTMLSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-9-19-16-6-5-7-17(11-16)20-10-8-18-12-14(2)21-15(3)13-18/h5-7,11,14-15H,4,8-10,12-13H2,1-3H3/t14-,15+.
What are the key properties of (2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine?
(2R,6S)-2,6-dimethyl-4-[2-(3-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 (2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine is sourced from PubChem (CID 7394222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).