1-[(2-fluorophenyl)methyl]-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine;hydroiodide

C18H23FIN3O — CID 111265180

IUPAC1-[(2-fluorophenyl)methyl]-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine;hydroiodide
SMILESC/N=C(\NCCOc1ccccc1C)NCc1ccccc1F.I
InChIInChI=1S/C18H22FN3O.HI/c1-14-7-3-6-10-17(14)23-12-11-21-18(20-2)22-13-15-8-4-5-9-16(15)19;/h3-10H,11-13H2,1-2H3,(H2,20,21,22);1H
InChIKeyDWIZNOBIPYYYAU-UHFFFAOYSA-N
MW443.30 g/mol
LogP3.50
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine;hydroiodide

1-[(2-fluorophenyl)methyl]-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine;hydroiodide (PubChem CID 111265180) has the molecular formula C18H23FIN3O and a molecular weight of 443.30 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine;hydroiodide
PubChem CID111265180
Molecular FormulaC18H23FIN3O
Molecular Weight443.30 g/mol
Exact Mass443.09
IUPAC Name1-[(2-fluorophenyl)methyl]-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine;hydroiodide
SMILESC/N=C(\NCCOc1ccccc1C)NCc1ccccc1F.I
InChIInChI=1S/C18H22FN3O.HI/c1-14-7-3-6-10-17(14)23-12-11-21-18(20-2)22-13-15-8-4-5-9-16(15)19;/h3-10H,11-13H2,1-2H3,(H2,20,21,22);1H
InChIKeyDWIZNOBIPYYYAU-UHFFFAOYSA-N
XLogP3.50
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.30
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze 1-[(2-fluorophenyl)methyl]-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine;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-benzyl-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine;hydroiodide
CID 110954917
2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-propylguanidine;hydroiodide
CID 111226233
1-[(2-ethoxyphenyl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111265189
2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111374097
1-[2-(2-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111266097
1-(3-ethoxypropyl)-2-methyl-3-[3-(2-methylphenoxy)propyl]guanidine;hydroiodide
CID 111782631
2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111951618
1-[(2-fluorophenyl)methyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111265236
1-[(2-fluorophenyl)methyl]-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111264723
2-methyl-1-(3-methylbutan-2-yl)-3-[2-(2-methylphenoxy)ethyl]guanidine
CID 111002879
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine
CID 111605309
1-[(2-fluorophenyl)methyl]-2-methyl-3-pentylguanidine
CID 111128251

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine;hydroiodide (CID 111265180) is 1-[(2-fluorophenyl)methyl]-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine;hydroiodide is C/N=C(\NCCOc1ccccc1C)NCc1ccccc1F.I.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine;hydroiodide?
The InChIKey is DWIZNOBIPYYYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O.HI/c1-14-7-3-6-10-17(14)23-12-11-21-18(20-2)22-13-15-8-4-5-9-16(15)19;/h3-10H,11-13H2,1-2H3,(H2,20,21,22);1H.
What are the key properties of 1-[(2-fluorophenyl)methyl]-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine;hydroiodide?
1-[(2-fluorophenyl)methyl]-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine;hydroiodide has a molecular weight of 443.30 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111265180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).