1-(3-ethoxypropyl)-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide

C16H28IN3O3 — CID 111682363

IUPAC1-(3-ethoxypropyl)-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
SMILESCCOCCCN/C(N)=N/CC(C)Oc1ccccc1OC.I
InChIInChI=1S/C16H27N3O3.HI/c1-4-21-11-7-10-18-16(17)19-12-13(2)22-15-9-6-5-8-14(15)20-3;/h5-6,8-9,13H,4,7,10-12H2,1-3H3,(H3,17,18,19);1H
InChIKeyDAFQXUIWPGROOZ-UHFFFAOYSA-N
MW437.32 g/mol
LogP2.41
Rot. Bonds10

About 1-(3-ethoxypropyl)-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide

1-(3-ethoxypropyl)-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide (PubChem CID 111682363) has the molecular formula C16H28IN3O3 and a molecular weight of 437.32 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
PubChem CID111682363
Molecular FormulaC16H28IN3O3
Molecular Weight437.32 g/mol
Exact Mass437.12
IUPAC Name1-(3-ethoxypropyl)-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
SMILESCCOCCCN/C(N)=N/CC(C)Oc1ccccc1OC.I
InChIInChI=1S/C16H27N3O3.HI/c1-4-21-11-7-10-18-16(17)19-12-13(2)22-15-9-6-5-8-14(15)20-3;/h5-6,8-9,13H,4,7,10-12H2,1-3H3,(H3,17,18,19);1H
InChIKeyDAFQXUIWPGROOZ-UHFFFAOYSA-N
XLogP2.41
TPSA78.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-hexyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111820601
1-(3-ethoxypropyl)-2-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]guanidine;hydroiodide
CID 111101742
2-(2,2-diphenylethyl)-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 111031127
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111503608
1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-(3-methoxypropyl)guanidine
CID 111494506
1-butyl-2-[2-(2-fluorophenoxy)propyl]guanidine
CID 111684162
1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111820551
2-[[2-(difluoromethoxy)phenyl]methyl]-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 111039887
1-(3-ethoxypropyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine;hydroiodide
CID 111081870
1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine
CID 111820552
1-butyl-2-[2-(2-methoxyphenyl)propyl]guanidine
CID 111097623
1-(3-ethoxypropyl)-2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine
CID 111074541

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide?
The IUPAC name of 1-(3-ethoxypropyl)-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide (CID 111682363) is 1-(3-ethoxypropyl)-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(3-ethoxypropyl)-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-(3-ethoxypropyl)-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide is CCOCCCN/C(N)=N/CC(C)Oc1ccccc1OC.I.
What is the InChIKey of 1-(3-ethoxypropyl)-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide?
The InChIKey is DAFQXUIWPGROOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3.HI/c1-4-21-11-7-10-18-16(17)19-12-13(2)22-15-9-6-5-8-14(15)20-3;/h5-6,8-9,13H,4,7,10-12H2,1-3H3,(H3,17,18,19);1H.
What are the key properties of 1-(3-ethoxypropyl)-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide?
1-(3-ethoxypropyl)-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide has a molecular weight of 437.32 g/mol, XLogP of 2.41, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111682363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).