[3-(2,5-dimethylphenyl)-5-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl-ethyl-dimethylazanium

C24H36NO3+ — CID 158185379

IUPAC[3-(2,5-dimethylphenyl)-5-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl-ethyl-dimethylazanium
SMILESCC[N+](C)(C)Cc1cc(OCCOCCOC)cc(-c2cc(C)ccc2C)c1
InChIInChI=1S/C24H36NO3/c1-7-25(4,5)18-21-15-22(24-14-19(2)8-9-20(24)3)17-23(16-21)28-13-12-27-11-10-26-6/h8-9,14-17H,7,10-13,18H2,1-6H3/q+1
InChIKeyJHJFATMVZFRTOE-UHFFFAOYSA-N
MW386.56 g/mol
LogP4.61
Rot. Bonds11

About [3-(2,5-dimethylphenyl)-5-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl-ethyl-dimethylazanium

[3-(2,5-dimethylphenyl)-5-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl-ethyl-dimethylazanium (PubChem CID 158185379) has the molecular formula C24H36NO3+ and a molecular weight of 386.56 g/mol. Its IUPAC name is [3-(2,5-dimethylphenyl)-5-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl-ethyl-dimethylazanium.

Molecular Properties

Compound Name[3-(2,5-dimethylphenyl)-5-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl-ethyl-dimethylazanium
PubChem CID158185379
Molecular FormulaC24H36NO3+
Molecular Weight386.56 g/mol
Exact Mass386.27
IUPAC Name[3-(2,5-dimethylphenyl)-5-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl-ethyl-dimethylazanium
SMILESCC[N+](C)(C)Cc1cc(OCCOCCOC)cc(-c2cc(C)ccc2C)c1
InChIInChI=1S/C24H36NO3/c1-7-25(4,5)18-21-15-22(24-14-19(2)8-9-20(24)3)17-23(16-21)28-13-12-27-11-10-26-6/h8-9,14-17H,7,10-13,18H2,1-6H3/q+1
InChIKeyJHJFATMVZFRTOE-UHFFFAOYSA-N
XLogP4.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[3-(2,5-dimethylphenyl)-5-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl formate
CID 161276237
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene
CID 146179403
9-[[3,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-9-[[3-[2-(2-methoxyethoxy)ethoxy]-5-[2-(2-methoxyethoxymethoxymethoxymethoxymethoxymethoxymethoxymethoxymethoxymethoxy)ethoxy]phenyl]methyl]-2,7-dimethylfluorene;ethane
CID 123191720
1-[2-(2-methoxyethoxy)ethoxy]-3-(2-methylphenyl)benzene
CID 57485291
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
[5-(2,5-dimethylphenyl)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl formate
CID 157385446
1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene
CID 134579491
1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3,7-dimethylnaphthalene
CID 126699664
3-[3-(2,5-dimethylphenyl)phenoxy]propanoic acid
CID 39369428
1-(6-bromohexoxymethyl)-3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzene
CID 54771674
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
1-methoxy-2-(2-methoxyethoxy)ethane;1,3-xylene
CID 69199580

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethylphenyl)-5-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl-ethyl-dimethylazanium?
The IUPAC name of [3-(2,5-dimethylphenyl)-5-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl-ethyl-dimethylazanium (CID 158185379) is [3-(2,5-dimethylphenyl)-5-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl-ethyl-dimethylazanium.
What is the SMILES notation for [3-(2,5-dimethylphenyl)-5-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl-ethyl-dimethylazanium?
The canonical SMILES for [3-(2,5-dimethylphenyl)-5-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl-ethyl-dimethylazanium is CC[N+](C)(C)Cc1cc(OCCOCCOC)cc(-c2cc(C)ccc2C)c1.
What is the InChIKey of [3-(2,5-dimethylphenyl)-5-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl-ethyl-dimethylazanium?
The InChIKey is JHJFATMVZFRTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36NO3/c1-7-25(4,5)18-21-15-22(24-14-19(2)8-9-20(24)3)17-23(16-21)28-13-12-27-11-10-26-6/h8-9,14-17H,7,10-13,18H2,1-6H3/q+1.
What are the key properties of [3-(2,5-dimethylphenyl)-5-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl-ethyl-dimethylazanium?
[3-(2,5-dimethylphenyl)-5-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl-ethyl-dimethylazanium has a molecular weight of 386.56 g/mol, XLogP of 4.61, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethylphenyl)-5-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl-ethyl-dimethylazanium is sourced from PubChem (CID 158185379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).