(2R,6S)-4-[3-(4-chloronaphthalen-1-yl)oxypropyl]-2,6-dimethylmorpholin-4-ium

C19H25ClNO2+ — CID 2183058

IUPAC(2R,6S)-4-[3-(4-chloronaphthalen-1-yl)oxypropyl]-2,6-dimethylmorpholin-4-ium
SMILESC[C@@H]1C[NH+](CCCOc2ccc(Cl)c3ccccc23)C[C@H](C)O1
InChIInChI=1S/C19H24ClNO2/c1-14-12-21(13-15(2)23-14)10-5-11-22-19-9-8-18(20)16-6-3-4-7-17(16)19/h3-4,6-9,14-15H,5,10-13H2,1-2H3/p+1/t14-,15+
InChIKeyLBXLFNZMNYGFSZ-GASCZTMLSA-O
MW334.87 g/mol
LogP2.95
Rot. Bonds5

About (2R,6S)-4-[3-(4-chloronaphthalen-1-yl)oxypropyl]-2,6-dimethylmorpholin-4-ium

(2R,6S)-4-[3-(4-chloronaphthalen-1-yl)oxypropyl]-2,6-dimethylmorpholin-4-ium (PubChem CID 2183058) has the molecular formula C19H25ClNO2+ and a molecular weight of 334.87 g/mol. Its IUPAC name is (2R,6S)-4-[3-(4-chloronaphthalen-1-yl)oxypropyl]-2,6-dimethylmorpholin-4-ium.

Molecular Properties

Compound Name(2R,6S)-4-[3-(4-chloronaphthalen-1-yl)oxypropyl]-2,6-dimethylmorpholin-4-ium
PubChem CID2183058
Molecular FormulaC19H25ClNO2+
Molecular Weight334.87 g/mol
Exact Mass334.16
IUPAC Name(2R,6S)-4-[3-(4-chloronaphthalen-1-yl)oxypropyl]-2,6-dimethylmorpholin-4-ium
SMILESC[C@@H]1C[NH+](CCCOc2ccc(Cl)c3ccccc23)C[C@H](C)O1
InChIInChI=1S/C19H24ClNO2/c1-14-12-21(13-15(2)23-14)10-5-11-22-19-9-8-18(20)16-6-3-4-7-17(16)19/h3-4,6-9,14-15H,5,10-13H2,1-2H3/p+1/t14-,15+
InChIKeyLBXLFNZMNYGFSZ-GASCZTMLSA-O
XLogP2.95
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,6S)-4-[3-(4-chloronaphthalen-1-yl)oxypropyl]-2,6-dimethylmorpholin-4-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,6S)-4-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,6-dimethylmorpholin-4-ium
CID 7242955
(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
(2R,6S)-2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholin-4-ium
CID 7413622
5-chloro-2-[3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propoxy]benzaldehyde
CID 7380001
(2R,6R)-4-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-2,6-dimethylmorpholin-4-ium
CID 2183415
(2S,6S)-4-[4-(2-tert-butyl-4-chlorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium
CID 2181334
(2R,6R)-2,6-dimethyl-4-(4-naphthalen-2-yloxybutyl)morpholin-4-ium
CID 2184565
(2S,6R)-2,6-dimethyl-4-[4-(2-prop-2-enylphenoxy)butyl]morpholin-4-ium
CID 2183046
(2S,6S)-2,6-dimethyl-4-[2-(2-phenylphenoxy)ethyl]morpholin-4-ium
CID 7411249
1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]butoxy]phenyl]propan-1-one
CID 7380348
2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]benzonitrile
CID 7393960

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[3-(4-chloronaphthalen-1-yl)oxypropyl]-2,6-dimethylmorpholin-4-ium?
The IUPAC name of (2R,6S)-4-[3-(4-chloronaphthalen-1-yl)oxypropyl]-2,6-dimethylmorpholin-4-ium (CID 2183058) is (2R,6S)-4-[3-(4-chloronaphthalen-1-yl)oxypropyl]-2,6-dimethylmorpholin-4-ium.
What is the SMILES notation for (2R,6S)-4-[3-(4-chloronaphthalen-1-yl)oxypropyl]-2,6-dimethylmorpholin-4-ium?
The canonical SMILES for (2R,6S)-4-[3-(4-chloronaphthalen-1-yl)oxypropyl]-2,6-dimethylmorpholin-4-ium is C[C@@H]1C[NH+](CCCOc2ccc(Cl)c3ccccc23)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-4-[3-(4-chloronaphthalen-1-yl)oxypropyl]-2,6-dimethylmorpholin-4-ium?
The InChIKey is LBXLFNZMNYGFSZ-GASCZTMLSA-O. The full InChI is InChI=1S/C19H24ClNO2/c1-14-12-21(13-15(2)23-14)10-5-11-22-19-9-8-18(20)16-6-3-4-7-17(16)19/h3-4,6-9,14-15H,5,10-13H2,1-2H3/p+1/t14-,15+.
What are the key properties of (2R,6S)-4-[3-(4-chloronaphthalen-1-yl)oxypropyl]-2,6-dimethylmorpholin-4-ium?
(2R,6S)-4-[3-(4-chloronaphthalen-1-yl)oxypropyl]-2,6-dimethylmorpholin-4-ium has a molecular weight of 334.87 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[3-(4-chloronaphthalen-1-yl)oxypropyl]-2,6-dimethylmorpholin-4-ium is sourced from PubChem (CID 2183058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).