1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine;hydroiodide

C17H25IN4O3 — CID 111027561

IUPAC1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine;hydroiodide
SMILESCOc1ccc(OC)c(N/C(N)=N/CC(c2ccco2)N(C)C)c1.I
InChIInChI=1S/C17H24N4O3.HI/c1-21(2)14(16-6-5-9-24-16)11-19-17(18)20-13-10-12(22-3)7-8-15(13)23-4;/h5-10,14H,11H2,1-4H3,(H3,18,19,20);1H
InChIKeyFIASMTAKWSIUIG-UHFFFAOYSA-N
MW460.32 g/mol
LogP2.94
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine;hydroiodide

1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine;hydroiodide (PubChem CID 111027561) has the molecular formula C17H25IN4O3 and a molecular weight of 460.32 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine;hydroiodide
PubChem CID111027561
Molecular FormulaC17H25IN4O3
Molecular Weight460.32 g/mol
Exact Mass460.10
IUPAC Name1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine;hydroiodide
SMILESCOc1ccc(OC)c(N/C(N)=N/CC(c2ccco2)N(C)C)c1.I
InChIInChI=1S/C17H24N4O3.HI/c1-21(2)14(16-6-5-9-24-16)11-19-17(18)20-13-10-12(22-3)7-8-15(13)23-4;/h5-10,14H,11H2,1-4H3,(H3,18,19,20);1H
InChIKeyFIASMTAKWSIUIG-UHFFFAOYSA-N
XLogP2.94
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine
CID 111029512
2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111027585
2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)guanidine
CID 111078347
1-(2,5-dimethoxyphenyl)-2-(2-phenylsulfanylpropyl)guanidine;hydroiodide
CID 111820249
1-tert-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine
CID 111027530
2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111031749
1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]guanidine
CID 111023903
1-(2,5-dimethoxyphenyl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111085764
1-(2,5-dimethoxyphenyl)-2-(4-methylpentyl)guanidine;hydroiodide
CID 111054914
1-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-2-hydroxyethyl]guanidine
CID 111058072
2-[2-(azepan-1-yl)-3-methylbutyl]-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 111042316
2-[2-(2-chlorophenoxy)propyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111821474

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine;hydroiodide (CID 111027561) is 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine;hydroiodide is COc1ccc(OC)c(N/C(N)=N/CC(c2ccco2)N(C)C)c1.I.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine;hydroiodide?
The InChIKey is FIASMTAKWSIUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3.HI/c1-21(2)14(16-6-5-9-24-16)11-19-17(18)20-13-10-12(22-3)7-8-15(13)23-4;/h5-10,14H,11H2,1-4H3,(H3,18,19,20);1H.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine;hydroiodide?
1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine;hydroiodide has a molecular weight of 460.32 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111027561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).