1-[2-(furan-2-yl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide

C17H24IN3O2 — CID 111355335

IUPAC1-[2-(furan-2-yl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCc1ccco1)NCc1ccccc1COC.I
InChIInChI=1S/C17H23N3O2.HI/c1-18-17(19-10-9-16-8-5-11-22-16)20-12-14-6-3-4-7-15(14)13-21-2;/h3-8,11H,9-10,12-13H2,1-2H3,(H2,18,19,20);1H
InChIKeyPSPGMWWJRHARIA-UHFFFAOYSA-N
MW429.30 g/mol
LogP2.95
Rot. Bonds7

About 1-[2-(furan-2-yl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide

1-[2-(furan-2-yl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide (PubChem CID 111355335) has the molecular formula C17H24IN3O2 and a molecular weight of 429.30 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
PubChem CID111355335
Molecular FormulaC17H24IN3O2
Molecular Weight429.30 g/mol
Exact Mass429.09
IUPAC Name1-[2-(furan-2-yl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCc1ccco1)NCc1ccccc1COC.I
InChIInChI=1S/C17H23N3O2.HI/c1-18-17(19-10-9-16-8-5-11-22-16)20-12-14-6-3-4-7-15(14)13-21-2;/h3-8,11H,9-10,12-13H2,1-2H3,(H2,18,19,20);1H
InChIKeyPSPGMWWJRHARIA-UHFFFAOYSA-N
XLogP2.95
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 52.95
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'}

Analyze 1-[2-(furan-2-yl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-ethylphenyl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111635870
1-[(2-ethoxyphenyl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111354768
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-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111356585
1-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 110933655
1-[2-(furan-2-yl)ethyl]-3-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methylguanidine
CID 111356338
1-[2-(furan-2-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111354350
1-[(2-chlorophenyl)methyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine
CID 111175183
1-[(2-fluorophenyl)methyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111265236
1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-phenoxybutyl)guanidine;hydroiodide
CID 111354117
1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111564793
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(2,4,6-trimethylphenyl)methyl]guanidine
CID 111353806

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide (CID 111355335) is 1-[2-(furan-2-yl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide is C/N=C(\NCCc1ccco1)NCc1ccccc1COC.I.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide?
The InChIKey is PSPGMWWJRHARIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.HI/c1-18-17(19-10-9-16-8-5-11-22-16)20-12-14-6-3-4-7-15(14)13-21-2;/h3-8,11H,9-10,12-13H2,1-2H3,(H2,18,19,20);1H.
What are the key properties of 1-[2-(furan-2-yl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide?
1-[2-(furan-2-yl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide has a molecular weight of 429.30 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111355335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).