diethyl-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]azanium

C16H28NO2+ — CID 2246292

IUPACdiethyl-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]azanium
SMILESCCc1ccc(OCCOCC[NH+](CC)CC)cc1
InChIInChI=1S/C16H27NO2/c1-4-15-7-9-16(10-8-15)19-14-13-18-12-11-17(5-2)6-3/h7-10H,4-6,11-14H2,1-3H3/p+1
InChIKeySGMMOHPRENPCLM-UHFFFAOYSA-O
MW266.40 g/mol
LogP1.57
Rot. Bonds10

About diethyl-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]azanium

diethyl-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]azanium (PubChem CID 2246292) has the molecular formula C16H28NO2+ and a molecular weight of 266.40 g/mol. Its IUPAC name is diethyl-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]azanium
PubChem CID2246292
Molecular FormulaC16H28NO2+
Molecular Weight266.40 g/mol
Exact Mass266.21
IUPAC Namediethyl-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]azanium
SMILESCCc1ccc(OCCOCC[NH+](CC)CC)cc1
InChIInChI=1S/C16H27NO2/c1-4-15-7-9-16(10-8-15)19-14-13-18-12-11-17(5-2)6-3/h7-10H,4-6,11-14H2,1-3H3/p+1
InChIKeySGMMOHPRENPCLM-UHFFFAOYSA-O
XLogP1.57
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene
CID 102046454
2-(4-ethylphenoxy)ethyl-bis(prop-2-enyl)azanium
CID 7439785
3-(4-bromophenoxy)propyl-diethylazanium
CID 2057944
2-[4-[(2S)-2-azaniumylpropyl]phenoxy]ethyl-diethylazanium
CID 6947774
N'-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2280740
1-ethyl-4-(2-propan-2-yloxyethoxy)benzene
CID 60643723
1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
CID 70366041
1-ethyl-4-[2-[3-[2-(2-propan-2-yloxyethoxy)ethoxy]phenoxy]ethoxy]benzene
CID 142385956
1-(4-butoxyphenyl)-2-(4-ethylphenyl)hydrazine
CID 177145678
CID 153379110
CID 153379110
[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
CID 46222769
1-(bromomethyl)-4-[2-[2-[2-[4-(bromomethyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene
CID 59116280

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]azanium?
The IUPAC name of diethyl-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]azanium (CID 2246292) is diethyl-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]azanium.
What is the SMILES notation for diethyl-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]azanium?
The canonical SMILES for diethyl-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]azanium is CCc1ccc(OCCOCC[NH+](CC)CC)cc1.
What is the InChIKey of diethyl-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]azanium?
The InChIKey is SGMMOHPRENPCLM-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H27NO2/c1-4-15-7-9-16(10-8-15)19-14-13-18-12-11-17(5-2)6-3/h7-10H,4-6,11-14H2,1-3H3/p+1.
What are the key properties of diethyl-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]azanium?
diethyl-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]azanium has a molecular weight of 266.40 g/mol, XLogP of 1.57, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]azanium is sourced from PubChem (CID 2246292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).