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

C15H23NO2 — CID 51970005

IUPAC(2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine
SMILESCc1cccc(OCCN2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C15H23NO2/c1-12-5-4-6-15(9-12)17-8-7-16-10-13(2)18-14(3)11-16/h4-6,9,13-14H,7-8,10-11H2,1-3H3/t13-,14+
InChIKeyIMIYYNWKYBWOJH-OKILXGFUSA-N
MW249.35 g/mol
LogP2.48
Rot. Bonds4

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

(2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine (PubChem CID 51970005) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine
PubChem CID51970005
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine
SMILESCc1cccc(OCCN2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C15H23NO2/c1-12-5-4-6-15(9-12)17-8-7-16-10-13(2)18-14(3)11-16/h4-6,9,13-14H,7-8,10-11H2,1-3H3/t13-,14+
InChIKeyIMIYYNWKYBWOJH-OKILXGFUSA-N
XLogP2.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine
CID 7394222
2-methyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 134055131
(2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine
CID 887587
(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
5-[2-(3-methylphenoxy)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60916021
3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline
CID 43365509
2-(2,6-dimethylmorpholin-4-yl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 87012344
(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182958
(3S)-3-methyl-1-[2-(3-methylphenoxy)ethyl]piperazine
CID 51980514
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
(2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 887366

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine (CID 51970005) is (2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine is Cc1cccc(OCCN2C[C@@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine?
The InChIKey is IMIYYNWKYBWOJH-OKILXGFUSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-5-4-6-15(9-12)17-8-7-16-10-13(2)18-14(3)11-16/h4-6,9,13-14H,7-8,10-11H2,1-3H3/t13-,14+.
What are the key properties of (2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine?
(2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine has a molecular weight of 249.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine is sourced from PubChem (CID 51970005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).