(2S,6S)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholin-4-ium

C17H28NO3+ — CID 7379892

IUPAC(2S,6S)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholin-4-ium
SMILESCC(C)Oc1cccc(OCC[NH+]2C[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/p+1/t14-,15-/m0/s1
InChIKeyVITBNTOTHBSZCC-GJZGRUSLSA-O
MW294.42 g/mol
LogP1.54
Rot. Bonds6

About (2S,6S)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholin-4-ium

(2S,6S)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholin-4-ium (PubChem CID 7379892) has the molecular formula C17H28NO3+ and a molecular weight of 294.42 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholin-4-ium.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholin-4-ium
PubChem CID7379892
Molecular FormulaC17H28NO3+
Molecular Weight294.42 g/mol
Exact Mass294.21
IUPAC Name(2S,6S)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholin-4-ium
SMILESCC(C)Oc1cccc(OCC[NH+]2C[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/p+1/t14-,15-/m0/s1
InChIKeyVITBNTOTHBSZCC-GJZGRUSLSA-O
XLogP1.54
TPSA32.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,6S)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholin-4-ium with MolForge

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Related Compounds

(2R,6S)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholin-4-ium
CID 7379890
(2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine
CID 7379895
(2R,6R)-2,6-dimethyl-4-(4-naphthalen-2-yloxybutyl)morpholin-4-ium
CID 2184565
(3S,5S)-3,5-dimethyl-1-[2-(3-methylphenoxy)ethyl]piperidin-1-ium
CID 7410808
(2S,6S)-2,6-dimethyl-4-[2-(2-phenylphenoxy)ethyl]morpholin-4-ium
CID 7411249
methyl-[3-(3-propan-2-yloxyphenoxy)propyl]azanium
CID 2198980
1-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]phenyl]propan-1-one
CID 7394000
(2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium
CID 2184520
(2R,6S)-4-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,6-dimethylmorpholin-4-ium
CID 7242955
1-[4-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]-3-methoxyphenyl]ethanone
CID 7379477
(2R,6R)-2,6-dimethyl-4-[3-(3-methyl-4-nitrophenoxy)propyl]morpholin-4-ium
CID 2181659
(2R,6R)-4-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium
CID 7413497

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholin-4-ium?
The IUPAC name of (2S,6S)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholin-4-ium (CID 7379892) is (2S,6S)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholin-4-ium.
What is the SMILES notation for (2S,6S)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholin-4-ium?
The canonical SMILES for (2S,6S)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholin-4-ium is CC(C)Oc1cccc(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of (2S,6S)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholin-4-ium?
The InChIKey is VITBNTOTHBSZCC-GJZGRUSLSA-O. 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/p+1/t14-,15-/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholin-4-ium?
(2S,6S)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholin-4-ium has a molecular weight of 294.42 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholin-4-ium is sourced from PubChem (CID 7379892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).