(2R,6R)-2,6-dimethyl-4-(4-naphthalen-2-yloxybutyl)morpholin-4-ium

C20H28NO2+ — CID 2184565

IUPAC(2R,6R)-2,6-dimethyl-4-(4-naphthalen-2-yloxybutyl)morpholin-4-ium
SMILESC[C@@H]1C[NH+](CCCCOc2ccc3ccccc3c2)C[C@@H](C)O1
InChIInChI=1S/C20H27NO2/c1-16-14-21(15-17(2)23-16)11-5-6-12-22-20-10-9-18-7-3-4-8-19(18)13-20/h3-4,7-10,13,16-17H,5-6,11-12,14-15H2,1-2H3/p+1/t16-,17-/m1/s1
InChIKeyJPRKCHDIHWKMEU-IAGOWNOFSA-O
MW314.45 g/mol
LogP2.69
Rot. Bonds6

About (2R,6R)-2,6-dimethyl-4-(4-naphthalen-2-yloxybutyl)morpholin-4-ium

(2R,6R)-2,6-dimethyl-4-(4-naphthalen-2-yloxybutyl)morpholin-4-ium (PubChem CID 2184565) has the molecular formula C20H28NO2+ and a molecular weight of 314.45 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-4-(4-naphthalen-2-yloxybutyl)morpholin-4-ium.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-4-(4-naphthalen-2-yloxybutyl)morpholin-4-ium
PubChem CID2184565
Molecular FormulaC20H28NO2+
Molecular Weight314.45 g/mol
Exact Mass314.21
IUPAC Name(2R,6R)-2,6-dimethyl-4-(4-naphthalen-2-yloxybutyl)morpholin-4-ium
SMILESC[C@@H]1C[NH+](CCCCOc2ccc3ccccc3c2)C[C@@H](C)O1
InChIInChI=1S/C20H27NO2/c1-16-14-21(15-17(2)23-16)11-5-6-12-22-20-10-9-18-7-3-4-8-19(18)13-20/h3-4,7-10,13,16-17H,5-6,11-12,14-15H2,1-2H3/p+1/t16-,17-/m1/s1
InChIKeyJPRKCHDIHWKMEU-IAGOWNOFSA-O
XLogP2.69
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.69
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

(2R,6R)-2,6-dimethyl-4-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]morpholin-4-ium
CID 7410765
3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide
CID 9410455
1-(2,6-dimethylmorpholin-4-ium-4-yl)-3-naphthalen-2-yloxypropan-2-ol
CID 4137273
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
(2R,6S)-4-[3-(4-chloronaphthalen-1-yl)oxypropyl]-2,6-dimethylmorpholin-4-ium
CID 2183058
(2S,6R)-2,6-dimethyl-4-[4-(2-prop-2-enylphenoxy)butyl]morpholin-4-ium
CID 2183046
(2R,6R)-2,6-dimethyl-4-[3-(3-methyl-4-nitrophenoxy)propyl]morpholin-4-ium
CID 2181659
(2R,6S)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholin-4-ium
CID 7379890
1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]butoxy]phenyl]propan-1-one
CID 7380348
1-(2-naphthalen-2-yloxyethyl)pyrrolidin-1-ium
CID 7446205
(2R,6R)-4-[4-(2-tert-butyl-4-methylphenoxy)butyl]-2,6-dimethylmorpholin-4-ium
CID 2181612

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-4-(4-naphthalen-2-yloxybutyl)morpholin-4-ium?
The IUPAC name of (2R,6R)-2,6-dimethyl-4-(4-naphthalen-2-yloxybutyl)morpholin-4-ium (CID 2184565) is (2R,6R)-2,6-dimethyl-4-(4-naphthalen-2-yloxybutyl)morpholin-4-ium.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-4-(4-naphthalen-2-yloxybutyl)morpholin-4-ium?
The canonical SMILES for (2R,6R)-2,6-dimethyl-4-(4-naphthalen-2-yloxybutyl)morpholin-4-ium is C[C@@H]1C[NH+](CCCCOc2ccc3ccccc3c2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-2,6-dimethyl-4-(4-naphthalen-2-yloxybutyl)morpholin-4-ium?
The InChIKey is JPRKCHDIHWKMEU-IAGOWNOFSA-O. The full InChI is InChI=1S/C20H27NO2/c1-16-14-21(15-17(2)23-16)11-5-6-12-22-20-10-9-18-7-3-4-8-19(18)13-20/h3-4,7-10,13,16-17H,5-6,11-12,14-15H2,1-2H3/p+1/t16-,17-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-4-(4-naphthalen-2-yloxybutyl)morpholin-4-ium?
(2R,6R)-2,6-dimethyl-4-(4-naphthalen-2-yloxybutyl)morpholin-4-ium has a molecular weight of 314.45 g/mol, XLogP of 2.69, 6 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-naphthalen-2-yloxybutyl)morpholin-4-ium is sourced from PubChem (CID 2184565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).