(2R,6S)-4-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,6-dimethylmorpholin-4-ium

C18H23ClNO2+ — CID 7242955

IUPAC(2R,6S)-4-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,6-dimethylmorpholin-4-ium
SMILESC[C@@H]1C[NH+](CCOc2ccc(Cl)c3ccccc23)C[C@H](C)O1
InChIInChI=1S/C18H22ClNO2/c1-13-11-20(12-14(2)22-13)9-10-21-18-8-7-17(19)15-5-3-4-6-16(15)18/h3-8,13-14H,9-12H2,1-2H3/p+1/t13-,14+
InChIKeyXHZVFPHGPKCULO-OKILXGFUSA-O
MW320.84 g/mol
LogP2.56
Rot. Bonds4

About (2R,6S)-4-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,6-dimethylmorpholin-4-ium

(2R,6S)-4-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,6-dimethylmorpholin-4-ium (PubChem CID 7242955) has the molecular formula C18H23ClNO2+ and a molecular weight of 320.84 g/mol. Its IUPAC name is (2R,6S)-4-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,6-dimethylmorpholin-4-ium.

Molecular Properties

Compound Name(2R,6S)-4-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,6-dimethylmorpholin-4-ium
PubChem CID7242955
Molecular FormulaC18H23ClNO2+
Molecular Weight320.84 g/mol
Exact Mass320.14
IUPAC Name(2R,6S)-4-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,6-dimethylmorpholin-4-ium
SMILESC[C@@H]1C[NH+](CCOc2ccc(Cl)c3ccccc23)C[C@H](C)O1
InChIInChI=1S/C18H22ClNO2/c1-13-11-20(12-14(2)22-13)9-10-21-18-8-7-17(19)15-5-3-4-6-16(15)18/h3-8,13-14H,9-12H2,1-2H3/p+1/t13-,14+
InChIKeyXHZVFPHGPKCULO-OKILXGFUSA-O
XLogP2.56
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]benzonitrile
CID 7393960
(2R,6R)-4-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium
CID 2181771
1-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]phenyl]propan-1-one
CID 7394000
1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]pyrrolidin-1-ium
CID 7241063
(2R,6S)-4-[4-(2-ethoxyphenoxy)butyl]-2,6-dimethylmorpholin-4-ium
CID 2183448
1-[2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propoxy]phenyl]ethanone
CID 7380245
(3S,5S)-3,5-dimethyl-1-(2-naphthalen-1-yloxyethyl)piperidin-1-ium
CID 7377440
(2R,6S)-2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholin-4-ium
CID 7413622
(2R,6R)-4-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-2,6-dimethylmorpholin-4-ium
CID 2183415
2-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]ethoxy]benzaldehyde
CID 7394469

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,6-dimethylmorpholin-4-ium?
The IUPAC name of (2R,6S)-4-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,6-dimethylmorpholin-4-ium (CID 7242955) is (2R,6S)-4-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,6-dimethylmorpholin-4-ium.
What is the SMILES notation for (2R,6S)-4-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,6-dimethylmorpholin-4-ium?
The canonical SMILES for (2R,6S)-4-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,6-dimethylmorpholin-4-ium is C[C@@H]1C[NH+](CCOc2ccc(Cl)c3ccccc23)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-4-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,6-dimethylmorpholin-4-ium?
The InChIKey is XHZVFPHGPKCULO-OKILXGFUSA-O. The full InChI is InChI=1S/C18H22ClNO2/c1-13-11-20(12-14(2)22-13)9-10-21-18-8-7-17(19)15-5-3-4-6-16(15)18/h3-8,13-14H,9-12H2,1-2H3/p+1/t13-,14+.
What are the key properties of (2R,6S)-4-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,6-dimethylmorpholin-4-ium?
(2R,6S)-4-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,6-dimethylmorpholin-4-ium has a molecular weight of 320.84 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,6-dimethylmorpholin-4-ium is sourced from PubChem (CID 7242955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).