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

C22H30NO2+ — CID 7413622

IUPAC(2R,6S)-2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholin-4-ium
SMILESC[C@@H]1C[NH+](CCCCOc2ccccc2-c2ccccc2)C[C@H](C)O1
InChIInChI=1S/C22H29NO2/c1-18-16-23(17-19(2)25-18)14-8-9-15-24-22-13-7-6-12-21(22)20-10-4-3-5-11-20/h3-7,10-13,18-19H,8-9,14-17H2,1-2H3/p+1/t18-,19+
InChIKeyKJVYOTNIJSFCAY-KDURUIRLSA-O
MW340.49 g/mol
LogP3.20
Rot. Bonds7

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

(2R,6S)-2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholin-4-ium (PubChem CID 7413622) has the molecular formula C22H30NO2+ and a molecular weight of 340.49 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholin-4-ium.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholin-4-ium
PubChem CID7413622
Molecular FormulaC22H30NO2+
Molecular Weight340.49 g/mol
Exact Mass340.23
IUPAC Name(2R,6S)-2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholin-4-ium
SMILESC[C@@H]1C[NH+](CCCCOc2ccccc2-c2ccccc2)C[C@H](C)O1
InChIInChI=1S/C22H29NO2/c1-18-16-23(17-19(2)25-18)14-8-9-15-24-22-13-7-6-12-21(22)20-10-4-3-5-11-20/h3-7,10-13,18-19H,8-9,14-17H2,1-2H3/p+1/t18-,19+
InChIKeyKJVYOTNIJSFCAY-KDURUIRLSA-O
XLogP3.20
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,6S)-2,6-dimethyl-4-[2-(2-phenylphenoxy)ethyl]morpholin-4-ium
CID 7411249
(2R,6S)-4-[4-(2-ethoxyphenoxy)butyl]-2,6-dimethylmorpholin-4-ium
CID 2183448
(2S,6R)-2,6-dimethyl-4-[4-(2-prop-2-enylphenoxy)butyl]morpholin-4-ium
CID 2183046
(3S,5S)-3,5-dimethyl-1-[2-(2-phenylphenoxy)ethyl]piperidin-1-ium
CID 7410857
1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]butoxy]phenyl]propan-1-one
CID 7380348
2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine
CID 2935512
1-[2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propoxy]phenyl]ethanone
CID 7380245
(2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium
CID 2184520
(2R,6R)-2,6-dimethyl-4-(4-naphthalen-2-yloxybutyl)morpholin-4-ium
CID 2184565
(2R,6S)-4-[3-(4-chloronaphthalen-1-yl)oxypropyl]-2,6-dimethylmorpholin-4-ium
CID 2183058
(2R,6R)-2,6-dimethyl-4-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]morpholin-4-ium
CID 7410765
2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholine;oxalic acid
CID 2936091

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholin-4-ium?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholin-4-ium (CID 7413622) is (2R,6S)-2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholin-4-ium.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholin-4-ium?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholin-4-ium is C[C@@H]1C[NH+](CCCCOc2ccccc2-c2ccccc2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholin-4-ium?
The InChIKey is KJVYOTNIJSFCAY-KDURUIRLSA-O. The full InChI is InChI=1S/C22H29NO2/c1-18-16-23(17-19(2)25-18)14-8-9-15-24-22-13-7-6-12-21(22)20-10-4-3-5-11-20/h3-7,10-13,18-19H,8-9,14-17H2,1-2H3/p+1/t18-,19+.
What are the key properties of (2R,6S)-2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholin-4-ium?
(2R,6S)-2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholin-4-ium has a molecular weight of 340.49 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholin-4-ium is sourced from PubChem (CID 7413622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).