(2S,6S)-4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholin-4-ium

C13H18Cl2NO+ — CID 6937797

IUPAC(2S,6S)-4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholin-4-ium
SMILESC[C@H]1C[NH+](Cc2ccc(Cl)cc2Cl)C[C@H](C)O1
InChIInChI=1S/C13H17Cl2NO/c1-9-6-16(7-10(2)17-9)8-11-3-4-12(14)5-13(11)15/h3-5,9-10H,6-8H2,1-2H3/p+1/t9-,10-/m0/s1
InChIKeyFAIAGMVQEOPUTH-UWVGGRQHSA-O
MW275.20 g/mol
LogP2.19
Rot. Bonds2

About (2S,6S)-4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholin-4-ium

(2S,6S)-4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholin-4-ium (PubChem CID 6937797) has the molecular formula C13H18Cl2NO+ and a molecular weight of 275.20 g/mol. Its IUPAC name is (2S,6S)-4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholin-4-ium.

Molecular Properties

Compound Name(2S,6S)-4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholin-4-ium
PubChem CID6937797
Molecular FormulaC13H18Cl2NO+
Molecular Weight275.20 g/mol
Exact Mass274.08
IUPAC Name(2S,6S)-4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholin-4-ium
SMILESC[C@H]1C[NH+](Cc2ccc(Cl)cc2Cl)C[C@H](C)O1
InChIInChI=1S/C13H17Cl2NO/c1-9-6-16(7-10(2)17-9)8-11-3-4-12(14)5-13(11)15/h3-5,9-10H,6-8H2,1-2H3/p+1/t9-,10-/m0/s1
InChIKeyFAIAGMVQEOPUTH-UWVGGRQHSA-O
XLogP2.19
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,6S)-4-[(2-chloro-6-fluorophenyl)methyl]-2,6-dimethylmorpholin-4-ium
CID 2059242
(3S)-1-[(2,4-dichlorophenyl)methyl]piperidin-1-ium-3-ol
CID 2173576
(2S,5S)-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methyloxolane
CID 130474408
1-[(2,4-dichlorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 79333265
2-(2,4-dichlorophenyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115840073
5-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline
CID 62100073
5-chloro-2-[3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propoxy]benzaldehyde
CID 7380001
2-(chloromethyl)-4-[(2,4-dichlorophenyl)methyl]-6-methylmorpholine
CID 102936602
(2S,6S)-4-[4-(2-tert-butyl-4-chlorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium
CID 2181334
4-[5-chloro-2-(chloromethyl)phenyl]-2,6-dimethylmorpholine
CID 114846280
2,4-dichloro-1-[(2-chloro-5-methylcyclohexyl)methyl]benzene
CID 63461138
1,4-dichloro-2-[2-(2,4-dichlorophenyl)ethyl]benzene
CID 173469759

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholin-4-ium?
The IUPAC name of (2S,6S)-4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholin-4-ium (CID 6937797) is (2S,6S)-4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholin-4-ium.
What is the SMILES notation for (2S,6S)-4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholin-4-ium?
The canonical SMILES for (2S,6S)-4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholin-4-ium is C[C@H]1C[NH+](Cc2ccc(Cl)cc2Cl)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholin-4-ium?
The InChIKey is FAIAGMVQEOPUTH-UWVGGRQHSA-O. The full InChI is InChI=1S/C13H17Cl2NO/c1-9-6-16(7-10(2)17-9)8-11-3-4-12(14)5-13(11)15/h3-5,9-10H,6-8H2,1-2H3/p+1/t9-,10-/m0/s1.
What are the key properties of (2S,6S)-4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholin-4-ium?
(2S,6S)-4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholin-4-ium has a molecular weight of 275.20 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholin-4-ium is sourced from PubChem (CID 6937797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).