(2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine

C17H27NO3 — CID 7379895

IUPAC(2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine
SMILESCC(C)Oc1cccc(OCCN2C[C@@H](C)O[C@H](C)C2)c1
InChIInChI=1S/C17H27NO3/c1-13(2)20-17-7-5-6-16(10-17)19-9-8-18-11-14(3)21-15(4)12-18/h5-7,10,13-15H,8-9,11-12H2,1-4H3/t14-,15-/m1/s1
InChIKeyVITBNTOTHBSZCC-HUUCEWRRSA-N
MW293.41 g/mol
LogP2.96
Rot. Bonds6

About (2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine

(2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine (PubChem CID 7379895) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine
PubChem CID7379895
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine
SMILESCC(C)Oc1cccc(OCCN2C[C@@H](C)O[C@H](C)C2)c1
InChIInChI=1S/C17H27NO3/c1-13(2)20-17-7-5-6-16(10-17)19-9-8-18-11-14(3)21-15(4)12-18/h5-7,10,13-15H,8-9,11-12H2,1-4H3/t14-,15-/m1/s1
InChIKeyVITBNTOTHBSZCC-HUUCEWRRSA-N
XLogP2.96
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine
CID 7394222
(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
4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934905
2,6-dimethyl-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid
CID 2935770
(2S,6S)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholin-4-ium
CID 7379892
(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182958
(2R,6S)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholin-4-ium
CID 7379890
3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline
CID 43365509
1-[3-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7379667
(2R,6R)-4-[2-(4-fluorophenoxy)ethyl]-2,6-dimethylmorpholine
CID 888238
[4-[2-(3-chlorophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102935770

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine?
The IUPAC name of (2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine (CID 7379895) is (2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine?
The canonical SMILES for (2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine is CC(C)Oc1cccc(OCCN2C[C@@H](C)O[C@H](C)C2)c1.
What is the InChIKey of (2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine?
The InChIKey is VITBNTOTHBSZCC-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(2)20-17-7-5-6-16(10-17)19-9-8-18-11-14(3)21-15(4)12-18/h5-7,10,13-15H,8-9,11-12H2,1-4H3/t14-,15-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine?
(2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine has a molecular weight of 293.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine is sourced from PubChem (CID 7379895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).