(2R,6R)-4-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium

C20H34NO3+ — CID 7413497

IUPAC(2R,6R)-4-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium
SMILESCC[C@@H](C)c1ccccc1OCCOCC[NH+]1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C20H33NO3/c1-5-16(2)19-8-6-7-9-20(19)23-13-12-22-11-10-21-14-17(3)24-18(4)15-21/h6-9,16-18H,5,10-15H2,1-4H3/p+1/t16-,17-,18-/m1/s1
InChIKeyVWQJKKNSUSBQTM-KZNAEPCWSA-O
MW336.50 g/mol
LogP2.29
Rot. Bonds9

About (2R,6R)-4-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium

(2R,6R)-4-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium (PubChem CID 7413497) has the molecular formula C20H34NO3+ and a molecular weight of 336.50 g/mol. Its IUPAC name is (2R,6R)-4-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium.

Molecular Properties

Compound Name(2R,6R)-4-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium
PubChem CID7413497
Molecular FormulaC20H34NO3+
Molecular Weight336.50 g/mol
Exact Mass336.25
IUPAC Name(2R,6R)-4-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium
SMILESCC[C@@H](C)c1ccccc1OCCOCC[NH+]1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C20H33NO3/c1-5-16(2)19-8-6-7-9-20(19)23-13-12-22-11-10-21-14-17(3)24-18(4)15-21/h6-9,16-18H,5,10-15H2,1-4H3/p+1/t16-,17-,18-/m1/s1
InChIKeyVWQJKKNSUSBQTM-KZNAEPCWSA-O
XLogP2.29
TPSA32.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,6R)-4-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium with MolForge

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Related Compounds

(2R,6R)-4-[2-[2-[4-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium
CID 7412459
2-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]ethoxy]benzaldehyde
CID 7394469
4-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]morpholin-4-ium
CID 7381404
(2S,6S)-4-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]-2,6-dimethylmorpholine
CID 6359907
4-[3-(2-butan-2-ylphenoxy)propyl]-2,6-dimethylmorpholine
CID 2935581
(2R,6S)-4-[4-(2-ethoxyphenoxy)butyl]-2,6-dimethylmorpholin-4-ium
CID 2183448
(2R,6R)-4-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium
CID 2181771
(2S,6S)-2,6-dimethyl-4-[2-(2-phenylphenoxy)ethyl]morpholin-4-ium
CID 7411249
4-[2-[2-(2-butan-2-ylphenoxy)ethoxy]ethyl]morpholine
CID 2923927
(2R,6S)-4-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium
CID 2182873
1-[3-[2-[(2S)-butan-2-yl]phenoxy]propyl]-4-ethylpiperazine-1,4-diium
CID 2216199
1-[4-[2-[(2R)-butan-2-yl]phenoxy]butyl]azepan-1-ium
CID 2194726

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium?
The IUPAC name of (2R,6R)-4-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium (CID 7413497) is (2R,6R)-4-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium.
What is the SMILES notation for (2R,6R)-4-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium?
The canonical SMILES for (2R,6R)-4-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium is CC[C@@H](C)c1ccccc1OCCOCC[NH+]1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of (2R,6R)-4-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium?
The InChIKey is VWQJKKNSUSBQTM-KZNAEPCWSA-O. The full InChI is InChI=1S/C20H33NO3/c1-5-16(2)19-8-6-7-9-20(19)23-13-12-22-11-10-21-14-17(3)24-18(4)15-21/h6-9,16-18H,5,10-15H2,1-4H3/p+1/t16-,17-,18-/m1/s1.
What are the key properties of (2R,6R)-4-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium?
(2R,6R)-4-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium has a molecular weight of 336.50 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium is sourced from PubChem (CID 7413497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).