(2R,6R)-2,6-dimethyl-4-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]morpholin-4-ium

C25H36NO2+ — CID 7410765

IUPAC(2R,6R)-2,6-dimethyl-4-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]morpholin-4-ium
SMILESC[C@@H]1C[NH+](CCCCOc2ccc(C(C)(C)c3ccccc3)cc2)C[C@@H](C)O1
InChIInChI=1S/C25H35NO2/c1-20-18-26(19-21(2)28-20)16-8-9-17-27-24-14-12-23(13-15-24)25(3,4)22-10-6-5-7-11-22/h5-7,10-15,20-21H,8-9,16-19H2,1-4H3/p+1/t20-,21-/m1/s1
InChIKeyCCOLCOPPEFRFIM-NHCUHLMSSA-O
MW382.57 g/mol
LogP3.86
Rot. Bonds8

About (2R,6R)-2,6-dimethyl-4-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]morpholin-4-ium

(2R,6R)-2,6-dimethyl-4-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]morpholin-4-ium (PubChem CID 7410765) has the molecular formula C25H36NO2+ and a molecular weight of 382.57 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-4-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]morpholin-4-ium.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-4-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]morpholin-4-ium
PubChem CID7410765
Molecular FormulaC25H36NO2+
Molecular Weight382.57 g/mol
Exact Mass382.27
IUPAC Name(2R,6R)-2,6-dimethyl-4-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]morpholin-4-ium
SMILESC[C@@H]1C[NH+](CCCCOc2ccc(C(C)(C)c3ccccc3)cc2)C[C@@H](C)O1
InChIInChI=1S/C25H35NO2/c1-20-18-26(19-21(2)28-20)16-8-9-17-27-24-14-12-23(13-15-24)25(3,4)22-10-6-5-7-11-22/h5-7,10-15,20-21H,8-9,16-19H2,1-4H3/p+1/t20-,21-/m1/s1
InChIKeyCCOLCOPPEFRFIM-NHCUHLMSSA-O
XLogP3.86
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,6R)-2,6-dimethyl-4-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]morpholin-4-ium with MolForge

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Related Compounds

(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
1-[4-[4-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]butoxy]phenyl]ethanone
CID 7380320
(2R,6S)-2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholin-4-ium
CID 7413622
1-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperazine-1,4-diium
CID 2194699
1-ethyl-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperazine-1,4-diium
CID 7479474
(2S,6R)-2,6-dimethyl-4-[4-(2-prop-2-enylphenoxy)butyl]morpholin-4-ium
CID 2183046
(2R,6R)-4-[4-(2-tert-butyl-4-methylphenoxy)butyl]-2,6-dimethylmorpholin-4-ium
CID 2181612
(2S,6S)-4-[4-(2-tert-butyl-4-chlorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium
CID 2181334
(2R,6S)-4-[3-(4-chloronaphthalen-1-yl)oxypropyl]-2,6-dimethylmorpholin-4-ium
CID 2183058
(2S,6S)-2,6-dimethyl-4-[2-(2-phenylphenoxy)ethyl]morpholin-4-ium
CID 7411249
2-[2-[4-[2-[4-(3-methoxypropoxy)phenyl]propan-2-yl]phenoxy]ethyl]oxirane
CID 139443809

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-4-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]morpholin-4-ium?
The IUPAC name of (2R,6R)-2,6-dimethyl-4-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]morpholin-4-ium (CID 7410765) is (2R,6R)-2,6-dimethyl-4-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]morpholin-4-ium.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-4-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]morpholin-4-ium?
The canonical SMILES for (2R,6R)-2,6-dimethyl-4-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]morpholin-4-ium is C[C@@H]1C[NH+](CCCCOc2ccc(C(C)(C)c3ccccc3)cc2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-2,6-dimethyl-4-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]morpholin-4-ium?
The InChIKey is CCOLCOPPEFRFIM-NHCUHLMSSA-O. The full InChI is InChI=1S/C25H35NO2/c1-20-18-26(19-21(2)28-20)16-8-9-17-27-24-14-12-23(13-15-24)25(3,4)22-10-6-5-7-11-22/h5-7,10-15,20-21H,8-9,16-19H2,1-4H3/p+1/t20-,21-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-4-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]morpholin-4-ium?
(2R,6R)-2,6-dimethyl-4-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]morpholin-4-ium has a molecular weight of 382.57 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-4-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]morpholin-4-ium is sourced from PubChem (CID 7410765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).