diethyl-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethyl]-methylazanium

C18H33N2O+ — CID 153492918

IUPACdiethyl-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethyl]-methylazanium
SMILESCCN(CCOCC[N+](C)(CC)CC)c1cccc(C)c1
InChIInChI=1S/C18H33N2O/c1-6-19(18-11-9-10-17(4)16-18)12-14-21-15-13-20(5,7-2)8-3/h9-11,16H,6-8,12-15H2,1-5H3/q+1
InChIKeyPWMUPYBQTMMYND-UHFFFAOYSA-N
MW293.47 g/mol
LogP3.32
Rot. Bonds10

About diethyl-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethyl]-methylazanium

diethyl-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethyl]-methylazanium (PubChem CID 153492918) has the molecular formula C18H33N2O+ and a molecular weight of 293.47 g/mol. Its IUPAC name is diethyl-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethyl]-methylazanium.

Molecular Properties

Compound Namediethyl-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethyl]-methylazanium
PubChem CID153492918
Molecular FormulaC18H33N2O+
Molecular Weight293.47 g/mol
Exact Mass293.26
IUPAC Namediethyl-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethyl]-methylazanium
SMILESCCN(CCOCC[N+](C)(CC)CC)c1cccc(C)c1
InChIInChI=1S/C18H33N2O/c1-6-19(18-11-9-10-17(4)16-18)12-14-21-15-13-20(5,7-2)8-3/h9-11,16H,6-8,12-15H2,1-5H3/q+1
InChIKeyPWMUPYBQTMMYND-UHFFFAOYSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-[2-[2-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-dimethyl-propylazanium
CID 148560037
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)-3-methylaniline
CID 124925556
2-[N-[2-(2-hydroxyethoxy)ethyl]-3-methylanilino]ethanol
CID 54440196
N-ethyl-3-methyl-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54163306
triethyl-[2-[2-(N-ethyl-3,4-dimethylanilino)ethoxy]ethyl]azanium
CID 70799761
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-ethyl-3-methylaniline
CID 91719512
N-[2-(1-ethoxyethoxy)ethyl]-N-ethyl-3-methylaniline
CID 131710840
trimethyl-[2-[2-[2-(3-methyl-N-[3-propan-2-yloxy-2-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethoxy]propyl]anilino)ethoxy]ethoxy]ethyl]azanium
CID 140731477
2-(N-ethyl-3-methylanilino)ethyl prop-2-enoate
CID 137371297
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethyl]-methylazanium?
The IUPAC name of diethyl-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethyl]-methylazanium (CID 153492918) is diethyl-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethyl]-methylazanium.
What is the SMILES notation for diethyl-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethyl]-methylazanium?
The canonical SMILES for diethyl-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethyl]-methylazanium is CCN(CCOCC[N+](C)(CC)CC)c1cccc(C)c1.
What is the InChIKey of diethyl-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethyl]-methylazanium?
The InChIKey is PWMUPYBQTMMYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N2O/c1-6-19(18-11-9-10-17(4)16-18)12-14-21-15-13-20(5,7-2)8-3/h9-11,16H,6-8,12-15H2,1-5H3/q+1.
What are the key properties of diethyl-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethyl]-methylazanium?
diethyl-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethyl]-methylazanium has a molecular weight of 293.47 g/mol, XLogP of 3.32, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethyl]-methylazanium is sourced from PubChem (CID 153492918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).