1-(2,5-dimethoxyphenyl)-2-(2-phenylsulfanylpropyl)guanidine;hydroiodide

C18H24IN3O2S — CID 111820249

IUPAC1-(2,5-dimethoxyphenyl)-2-(2-phenylsulfanylpropyl)guanidine;hydroiodide
SMILESCOc1ccc(OC)c(N/C(N)=N/CC(C)Sc2ccccc2)c1.I
InChIInChI=1S/C18H23N3O2S.HI/c1-13(24-15-7-5-4-6-8-15)12-20-18(19)21-16-11-14(22-2)9-10-17(16)23-3;/h4-11,13H,12H2,1-3H3,(H3,19,20,21);1H
InChIKeyQUDWRSLMPZLEOO-UHFFFAOYSA-N
MW473.38 g/mol
LogP4.23
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-2-(2-phenylsulfanylpropyl)guanidine;hydroiodide

1-(2,5-dimethoxyphenyl)-2-(2-phenylsulfanylpropyl)guanidine;hydroiodide (PubChem CID 111820249) has the molecular formula C18H24IN3O2S and a molecular weight of 473.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(2-phenylsulfanylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(2-phenylsulfanylpropyl)guanidine;hydroiodide
PubChem CID111820249
Molecular FormulaC18H24IN3O2S
Molecular Weight473.38 g/mol
Exact Mass473.06
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(2-phenylsulfanylpropyl)guanidine;hydroiodide
SMILESCOc1ccc(OC)c(N/C(N)=N/CC(C)Sc2ccccc2)c1.I
InChIInChI=1S/C18H23N3O2S.HI/c1-13(24-15-7-5-4-6-8-15)12-20-18(19)21-16-11-14(22-2)9-10-17(16)23-3;/h4-11,13H,12H2,1-3H3,(H3,19,20,21);1H
InChIKeyQUDWRSLMPZLEOO-UHFFFAOYSA-N
XLogP4.23
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.38
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methoxyphenyl)-2-(2-phenylsulfanylpropyl)guanidine
CID 111820248
2-[2-(4-bromophenyl)sulfanylpropyl]-1-(2-methoxyphenyl)guanidine
CID 111809596
2-[2-(2-chlorophenoxy)propyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111821474
1-(2,5-dimethoxyphenyl)-2-(4-methylpentyl)guanidine;hydroiodide
CID 111054914
2-[2-(azepan-1-yl)-3-methylbutyl]-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 111042316
1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111027561
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111067352
1-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-2-hydroxyethyl]guanidine
CID 111058072
1-(2,5-dimethoxyphenyl)-2-(2-naphthalen-2-ylethyl)guanidine
CID 111069802
1-(2,5-dimethoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine
CID 111811230
2-but-3-ynyl-1-(2,5-dimethoxyphenyl)guanidine
CID 119147803
1-(2,5-dimethoxyphenyl)-2-prop-2-enylguanidine
CID 111023982

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(2-phenylsulfanylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(2-phenylsulfanylpropyl)guanidine;hydroiodide (CID 111820249) is 1-(2,5-dimethoxyphenyl)-2-(2-phenylsulfanylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(2-phenylsulfanylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(2-phenylsulfanylpropyl)guanidine;hydroiodide is COc1ccc(OC)c(N/C(N)=N/CC(C)Sc2ccccc2)c1.I.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(2-phenylsulfanylpropyl)guanidine;hydroiodide?
The InChIKey is QUDWRSLMPZLEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S.HI/c1-13(24-15-7-5-4-6-8-15)12-20-18(19)21-16-11-14(22-2)9-10-17(16)23-3;/h4-11,13H,12H2,1-3H3,(H3,19,20,21);1H.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(2-phenylsulfanylpropyl)guanidine;hydroiodide?
1-(2,5-dimethoxyphenyl)-2-(2-phenylsulfanylpropyl)guanidine;hydroiodide has a molecular weight of 473.38 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(2-phenylsulfanylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111820249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).