1-ethyl-3-(2-methoxyethyl)-2-(2-phenoxybutyl)guanidine;hydroiodide

C16H28IN3O2 — CID 111560738

IUPAC1-ethyl-3-(2-methoxyethyl)-2-(2-phenoxybutyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(CC)Oc1ccccc1)NCCOC.I
InChIInChI=1S/C16H27N3O2.HI/c1-4-14(21-15-9-7-6-8-10-15)13-19-16(17-5-2)18-11-12-20-3;/h6-10,14H,4-5,11-13H2,1-3H3,(H2,17,18,19);1H
InChIKeyUKENWFNVIXYDHF-UHFFFAOYSA-N
MW421.32 g/mol
LogP2.66
Rot. Bonds9

About 1-ethyl-3-(2-methoxyethyl)-2-(2-phenoxybutyl)guanidine;hydroiodide

1-ethyl-3-(2-methoxyethyl)-2-(2-phenoxybutyl)guanidine;hydroiodide (PubChem CID 111560738) has the molecular formula C16H28IN3O2 and a molecular weight of 421.32 g/mol. Its IUPAC name is 1-ethyl-3-(2-methoxyethyl)-2-(2-phenoxybutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-(2-methoxyethyl)-2-(2-phenoxybutyl)guanidine;hydroiodide
PubChem CID111560738
Molecular FormulaC16H28IN3O2
Molecular Weight421.32 g/mol
Exact Mass421.12
IUPAC Name1-ethyl-3-(2-methoxyethyl)-2-(2-phenoxybutyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(CC)Oc1ccccc1)NCCOC.I
InChIInChI=1S/C16H27N3O2.HI/c1-4-14(21-15-9-7-6-8-10-15)13-19-16(17-5-2)18-11-12-20-3;/h6-10,14H,4-5,11-13H2,1-3H3,(H2,17,18,19);1H
InChIKeyUKENWFNVIXYDHF-UHFFFAOYSA-N
XLogP2.66
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-(2-methoxyethyl)guanidine
CID 109475869
1-ethyl-2-[2-(2-fluorophenoxy)butyl]-3-(2-methoxyethyl)guanidine
CID 111968011
1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 109475755
1-ethyl-3-(2-methoxyethyl)-2-(3-methyl-2-phenylbutyl)guanidine;hydroiodide
CID 110942185
1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-(2-phenoxypropyl)guanidine
CID 111788822
2-[2-(2-chlorophenoxy)butyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 111969163
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[2-(3-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111679715
1-ethyl-2-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-(2-methoxyethyl)guanidine;hydroiodide
CID 109491751
2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-(2-methoxyethyl)guanidine
CID 111779079
2-[2-(2-chlorophenoxy)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine
CID 111491536
methyl 5-[[N-ethyl-N'-[2-(3-fluorophenoxy)butyl]carbamimidoyl]amino]pentanoate;hydroiodide
CID 109476140
2-(2,2-diphenylethyl)-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 111356952

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methoxyethyl)-2-(2-phenoxybutyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-(2-methoxyethyl)-2-(2-phenoxybutyl)guanidine;hydroiodide (CID 111560738) is 1-ethyl-3-(2-methoxyethyl)-2-(2-phenoxybutyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-(2-methoxyethyl)-2-(2-phenoxybutyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-(2-methoxyethyl)-2-(2-phenoxybutyl)guanidine;hydroiodide is CCN/C(=N\CC(CC)Oc1ccccc1)NCCOC.I.
What is the InChIKey of 1-ethyl-3-(2-methoxyethyl)-2-(2-phenoxybutyl)guanidine;hydroiodide?
The InChIKey is UKENWFNVIXYDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2.HI/c1-4-14(21-15-9-7-6-8-10-15)13-19-16(17-5-2)18-11-12-20-3;/h6-10,14H,4-5,11-13H2,1-3H3,(H2,17,18,19);1H.
What are the key properties of 1-ethyl-3-(2-methoxyethyl)-2-(2-phenoxybutyl)guanidine;hydroiodide?
1-ethyl-3-(2-methoxyethyl)-2-(2-phenoxybutyl)guanidine;hydroiodide has a molecular weight of 421.32 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methoxyethyl)-2-(2-phenoxybutyl)guanidine;hydroiodide is sourced from PubChem (CID 111560738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).