1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide

C17H23ClIN3O2 — CID 111499616

IUPAC1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCc1ccco1)NCC(C)Oc1ccccc1Cl.I
InChIInChI=1S/C17H22ClN3O2.HI/c1-13(23-16-8-4-3-7-15(16)18)12-21-17(19-2)20-10-9-14-6-5-11-22-14;/h3-8,11,13H,9-10,12H2,1-2H3,(H2,19,20,21);1H
InChIKeyOVRJTHXXWORVNF-UHFFFAOYSA-N
MW463.75 g/mol
LogP3.73
Rot. Bonds7

About 1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide

1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide (PubChem CID 111499616) has the molecular formula C17H23ClIN3O2 and a molecular weight of 463.75 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
PubChem CID111499616
Molecular FormulaC17H23ClIN3O2
Molecular Weight463.75 g/mol
Exact Mass463.05
IUPAC Name1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCc1ccco1)NCC(C)Oc1ccccc1Cl.I
InChIInChI=1S/C17H22ClN3O2.HI/c1-13(23-16-8-4-3-7-15(16)18)12-21-17(19-2)20-10-9-14-6-5-11-22-14;/h3-8,11,13H,9-10,12H2,1-2H3,(H2,19,20,21);1H
InChIKeyOVRJTHXXWORVNF-UHFFFAOYSA-N
XLogP3.73
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.75
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-chlorophenoxy)propyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111499771
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(3-methylphenoxy)propyl]guanidine
CID 111502433
1-[2-(2-chlorophenoxy)propyl]-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111499754
1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111355969
1-(furan-2-ylmethyl)-2-methyl-3-(2-phenoxypropyl)guanidine
CID 111179316
1-(2-anilino-3-methylbutyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111353426
1-[2-(2-fluorophenyl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111355633
1-[2-(furan-2-yl)ethyl]-2-methyl-3-(2-methyl-3-phenylmethoxypropyl)guanidine
CID 111355494
1-[2-(furan-2-yl)ethyl]-2-methyl-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111354281
1-[2-[benzyl(methyl)amino]propyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111785660
1-[2-(2-chlorophenoxy)propyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111521801
1-(2,2-dicyclopropylethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111501187

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide (CID 111499616) is 1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide is C/N=C(\NCCc1ccco1)NCC(C)Oc1ccccc1Cl.I.
What is the InChIKey of 1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide?
The InChIKey is OVRJTHXXWORVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2.HI/c1-13(23-16-8-4-3-7-15(16)18)12-21-17(19-2)20-10-9-14-6-5-11-22-14;/h3-8,11,13H,9-10,12H2,1-2H3,(H2,19,20,21);1H.
What are the key properties of 1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide?
1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide has a molecular weight of 463.75 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111499616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).