(2S,6S)-2,6-dimethyl-4-[2-(2-phenylphenoxy)ethyl]morpholin-4-ium

C20H26NO2+ — CID 7411249

IUPAC(2S,6S)-2,6-dimethyl-4-[2-(2-phenylphenoxy)ethyl]morpholin-4-ium
SMILESC[C@H]1C[NH+](CCOc2ccccc2-c2ccccc2)C[C@H](C)O1
InChIInChI=1S/C20H25NO2/c1-16-14-21(15-17(2)23-16)12-13-22-20-11-7-6-10-19(20)18-8-4-3-5-9-18/h3-11,16-17H,12-15H2,1-2H3/p+1/t16-,17-/m0/s1
InChIKeyNHWONOABSYXUBC-IRXDYDNUSA-O
MW312.43 g/mol
LogP2.42
Rot. Bonds5

About (2S,6S)-2,6-dimethyl-4-[2-(2-phenylphenoxy)ethyl]morpholin-4-ium

(2S,6S)-2,6-dimethyl-4-[2-(2-phenylphenoxy)ethyl]morpholin-4-ium (PubChem CID 7411249) has the molecular formula C20H26NO2+ and a molecular weight of 312.43 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethyl-4-[2-(2-phenylphenoxy)ethyl]morpholin-4-ium.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethyl-4-[2-(2-phenylphenoxy)ethyl]morpholin-4-ium
PubChem CID7411249
Molecular FormulaC20H26NO2+
Molecular Weight312.43 g/mol
Exact Mass312.20
IUPAC Name(2S,6S)-2,6-dimethyl-4-[2-(2-phenylphenoxy)ethyl]morpholin-4-ium
SMILESC[C@H]1C[NH+](CCOc2ccccc2-c2ccccc2)C[C@H](C)O1
InChIInChI=1S/C20H25NO2/c1-16-14-21(15-17(2)23-16)12-13-22-20-11-7-6-10-19(20)18-8-4-3-5-9-18/h3-11,16-17H,12-15H2,1-2H3/p+1/t16-,17-/m0/s1
InChIKeyNHWONOABSYXUBC-IRXDYDNUSA-O
XLogP2.42
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,6S)-2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholin-4-ium
CID 7413622
(3S,5S)-3,5-dimethyl-1-[2-(2-phenylphenoxy)ethyl]piperidin-1-ium
CID 7410857
2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]benzonitrile
CID 7393960
1-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]phenyl]propan-1-one
CID 7394000
(2R,6S)-4-[4-(2-ethoxyphenoxy)butyl]-2,6-dimethylmorpholin-4-ium
CID 2183448
1-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium
CID 7442998
2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine
CID 2935512
1-benzyl-4-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium
CID 7375832
2-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]ethoxy]benzaldehyde
CID 7394469
1-[2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propoxy]phenyl]ethanone
CID 7380245
(2R,6R)-2,6-dimethyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine
CID 7412761
(2R,6S)-4-[3-(4-chloronaphthalen-1-yl)oxypropyl]-2,6-dimethylmorpholin-4-ium
CID 2183058

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethyl-4-[2-(2-phenylphenoxy)ethyl]morpholin-4-ium?
The IUPAC name of (2S,6S)-2,6-dimethyl-4-[2-(2-phenylphenoxy)ethyl]morpholin-4-ium (CID 7411249) is (2S,6S)-2,6-dimethyl-4-[2-(2-phenylphenoxy)ethyl]morpholin-4-ium.
What is the SMILES notation for (2S,6S)-2,6-dimethyl-4-[2-(2-phenylphenoxy)ethyl]morpholin-4-ium?
The canonical SMILES for (2S,6S)-2,6-dimethyl-4-[2-(2-phenylphenoxy)ethyl]morpholin-4-ium is C[C@H]1C[NH+](CCOc2ccccc2-c2ccccc2)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-2,6-dimethyl-4-[2-(2-phenylphenoxy)ethyl]morpholin-4-ium?
The InChIKey is NHWONOABSYXUBC-IRXDYDNUSA-O. The full InChI is InChI=1S/C20H25NO2/c1-16-14-21(15-17(2)23-16)12-13-22-20-11-7-6-10-19(20)18-8-4-3-5-9-18/h3-11,16-17H,12-15H2,1-2H3/p+1/t16-,17-/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethyl-4-[2-(2-phenylphenoxy)ethyl]morpholin-4-ium?
(2S,6S)-2,6-dimethyl-4-[2-(2-phenylphenoxy)ethyl]morpholin-4-ium has a molecular weight of 312.43 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethyl-4-[2-(2-phenylphenoxy)ethyl]morpholin-4-ium is sourced from PubChem (CID 7411249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).