(2R,6R)-4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholin-4-ium

C16H25BrNO2+ — CID 7413076

IUPAC(2R,6R)-4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholin-4-ium
SMILESCc1cc(C)c(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(Br)c1
InChIInChI=1S/C16H24BrNO2/c1-11-7-12(2)16(15(17)8-11)19-6-5-18-9-13(3)20-14(4)10-18/h7-8,13-14H,5-6,9-10H2,1-4H3/p+1/t13-,14-/m1/s1
InChIKeyOKXJVJAKOAJGBF-ZIAGYGMSSA-O
MW343.29 g/mol
LogP2.14
Rot. Bonds4

About (2R,6R)-4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholin-4-ium

(2R,6R)-4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholin-4-ium (PubChem CID 7413076) has the molecular formula C16H25BrNO2+ and a molecular weight of 343.29 g/mol. Its IUPAC name is (2R,6R)-4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholin-4-ium.

Molecular Properties

Compound Name(2R,6R)-4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholin-4-ium
PubChem CID7413076
Molecular FormulaC16H25BrNO2+
Molecular Weight343.29 g/mol
Exact Mass342.11
IUPAC Name(2R,6R)-4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholin-4-ium
SMILESCc1cc(C)c(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(Br)c1
InChIInChI=1S/C16H24BrNO2/c1-11-7-12(2)16(15(17)8-11)19-6-5-18-9-13(3)20-14(4)10-18/h7-8,13-14H,5-6,9-10H2,1-4H3/p+1/t13-,14-/m1/s1
InChIKeyOKXJVJAKOAJGBF-ZIAGYGMSSA-O
XLogP2.14
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,6R)-4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholin-4-ium with MolForge

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Related Compounds

4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 2935813
(3S)-1-[4-(2-bromo-4,6-dimethylphenoxy)butyl]-3-methylpiperidin-1-ium
CID 2183526
(3S,5S)-3,5-dimethyl-1-[4-(2,4,6-trimethylphenoxy)butyl]piperidin-1-ium
CID 2182858
(3S,5S)-1-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]-3,5-dimethylpiperidin-1-ium
CID 7412941
1-[3-(2-bromo-4,6-dimethylphenoxy)propoxy]pyrrolidine-2,5-dione
CID 2221359
1-[2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2269669
(2R,6R)-4-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium
CID 2181771
(2R,6S)-4-[2-(4-chloronaphthalen-1-yl)oxyethyl]-2,6-dimethylmorpholin-4-ium
CID 7242955
1-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]piperazine-1,4-diium
CID 7244695
1-bromo-2-[2-(4-methoxyphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2283505
(2R,6S)-4-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium
CID 2182873
(2S,6S)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholin-4-ium
CID 7379892

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholin-4-ium?
The IUPAC name of (2R,6R)-4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholin-4-ium (CID 7413076) is (2R,6R)-4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholin-4-ium.
What is the SMILES notation for (2R,6R)-4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholin-4-ium?
The canonical SMILES for (2R,6R)-4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholin-4-ium is Cc1cc(C)c(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(Br)c1.
What is the InChIKey of (2R,6R)-4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholin-4-ium?
The InChIKey is OKXJVJAKOAJGBF-ZIAGYGMSSA-O. The full InChI is InChI=1S/C16H24BrNO2/c1-11-7-12(2)16(15(17)8-11)19-6-5-18-9-13(3)20-14(4)10-18/h7-8,13-14H,5-6,9-10H2,1-4H3/p+1/t13-,14-/m1/s1.
What are the key properties of (2R,6R)-4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholin-4-ium?
(2R,6R)-4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholin-4-ium has a molecular weight of 343.29 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholin-4-ium is sourced from PubChem (CID 7413076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).