2-[2-(4-iodophenoxy)ethoxy]ethyl-propan-2-ylazanium

C13H21INO2+ — CID 2280733

IUPAC2-[2-(4-iodophenoxy)ethoxy]ethyl-propan-2-ylazanium
SMILESCC(C)[NH2+]CCOCCOc1ccc(I)cc1
InChIInChI=1S/C13H20INO2/c1-11(2)15-7-8-16-9-10-17-13-5-3-12(14)4-6-13/h3-6,11,15H,7-10H2,1-2H3/p+1
InChIKeySLEOSKBOZYYASI-UHFFFAOYSA-O
MW350.22 g/mol
LogP1.66
Rot. Bonds8

About 2-[2-(4-iodophenoxy)ethoxy]ethyl-propan-2-ylazanium

2-[2-(4-iodophenoxy)ethoxy]ethyl-propan-2-ylazanium (PubChem CID 2280733) has the molecular formula C13H21INO2+ and a molecular weight of 350.22 g/mol. Its IUPAC name is 2-[2-(4-iodophenoxy)ethoxy]ethyl-propan-2-ylazanium.

Molecular Properties

Compound Name2-[2-(4-iodophenoxy)ethoxy]ethyl-propan-2-ylazanium
PubChem CID2280733
Molecular FormulaC13H21INO2+
Molecular Weight350.22 g/mol
Exact Mass350.06
IUPAC Name2-[2-(4-iodophenoxy)ethoxy]ethyl-propan-2-ylazanium
SMILESCC(C)[NH2+]CCOCCOc1ccc(I)cc1
InChIInChI=1S/C13H20INO2/c1-11(2)15-7-8-16-9-10-17-13-5-3-12(14)4-6-13/h3-6,11,15H,7-10H2,1-2H3/p+1
InChIKeySLEOSKBOZYYASI-UHFFFAOYSA-O
XLogP1.66
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(4-iodophenoxy)ethoxy]ethyl-propan-2-ylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-iodo-4-[2-(3-methylbutoxy)ethoxy]benzene
CID 63530619
(1R)-1-[2-[2-[2-(4-iodophenoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 155251107
1-(2-butoxyethoxy)-4-iodobenzene
CID 25259264
[(2S)-butan-2-yl]-[3-(4-iodophenoxy)propyl]azanium
CID 2181983
N'-[2-[2-(4-iodophenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2280836
[(2S)-butan-2-yl]-[2-[2-(4-methoxycarbonylphenoxy)ethoxy]ethyl]azanium
CID 2184785
1-(4-iodophenoxy)propan-2-ol
CID 65277775
1-fluoro-4-[2-(4-iodophenoxy)ethoxy]benzene
CID 141496951
1-iodo-4-(3-propan-2-ylsulfanylpropoxy)benzene
CID 2843535
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
1-(1-iodoethyl)-4-[2-(2-methoxyethoxy)ethoxy]benzene
CID 89292471
1-iodo-4-(5-propan-2-ylsulfanylpentoxy)benzene
CID 2843459

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-iodophenoxy)ethoxy]ethyl-propan-2-ylazanium?
The IUPAC name of 2-[2-(4-iodophenoxy)ethoxy]ethyl-propan-2-ylazanium (CID 2280733) is 2-[2-(4-iodophenoxy)ethoxy]ethyl-propan-2-ylazanium.
What is the SMILES notation for 2-[2-(4-iodophenoxy)ethoxy]ethyl-propan-2-ylazanium?
The canonical SMILES for 2-[2-(4-iodophenoxy)ethoxy]ethyl-propan-2-ylazanium is CC(C)[NH2+]CCOCCOc1ccc(I)cc1.
What is the InChIKey of 2-[2-(4-iodophenoxy)ethoxy]ethyl-propan-2-ylazanium?
The InChIKey is SLEOSKBOZYYASI-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H20INO2/c1-11(2)15-7-8-16-9-10-17-13-5-3-12(14)4-6-13/h3-6,11,15H,7-10H2,1-2H3/p+1.
What are the key properties of 2-[2-(4-iodophenoxy)ethoxy]ethyl-propan-2-ylazanium?
2-[2-(4-iodophenoxy)ethoxy]ethyl-propan-2-ylazanium has a molecular weight of 350.22 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-iodophenoxy)ethoxy]ethyl-propan-2-ylazanium is sourced from PubChem (CID 2280733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).