1-[3-(2-fluorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide

C19H23FIN3O — CID 120671597

IUPAC1-[3-(2-fluorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
SMILESCOc1ccccc1C/N=C(\N)NC1CC(c2ccccc2F)C1.I
InChIInChI=1S/C19H22FN3O.HI/c1-24-18-9-5-2-6-13(18)12-22-19(21)23-15-10-14(11-15)16-7-3-4-8-17(16)20;/h2-9,14-15H,10-12H2,1H3,(H3,21,22,23);1H
InChIKeyRDHTVDLGGYXTLE-UHFFFAOYSA-N
MW455.32 g/mol
LogP3.80
Rot. Bonds5

About 1-[3-(2-fluorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide

1-[3-(2-fluorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide (PubChem CID 120671597) has the molecular formula C19H23FIN3O and a molecular weight of 455.32 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
PubChem CID120671597
Molecular FormulaC19H23FIN3O
Molecular Weight455.32 g/mol
Exact Mass455.09
IUPAC Name1-[3-(2-fluorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
SMILESCOc1ccccc1C/N=C(\N)NC1CC(c2ccccc2F)C1.I
InChIInChI=1S/C19H22FN3O.HI/c1-24-18-9-5-2-6-13(18)12-22-19(21)23-15-10-14(11-15)16-7-3-4-8-17(16)20;/h2-9,14-15H,10-12H2,1H3,(H3,21,22,23);1H
InChIKeyRDHTVDLGGYXTLE-UHFFFAOYSA-N
XLogP3.80
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.32
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[3-(2-fluorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]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-[3-(4-chlorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 120663283
1-[3-(4-bromophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydrobromide
CID 154838813
2-[(2-methoxyphenyl)methyl]-1-(2-phenylcyclopropyl)guanidine
CID 111046155
1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-2-[(2-methoxyphenyl)methyl]guanidine
CID 120671482
1-cyclopropyl-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine;hydroiodide
CID 110927667
1-cyclopropyl-2-[(4-methoxy-3-pyridinyl)methyl]guanidine
CID 122082803
1-cyclohexyl-2-[[2-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111039863
1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 119259715
2-[(4-chloro-2-methoxyphenyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111806809
ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]acetate
CID 54921064
2-[(2-methoxyphenyl)methyl]-1-pyrimidin-2-ylguanidine
CID 67531074
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(3-fluoro-4-methoxyphenyl)methyl]guanidine
CID 111599080

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-[3-(2-fluorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide (CID 120671597) is 1-[3-(2-fluorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-[3-(2-fluorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-[3-(2-fluorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide is COc1ccccc1C/N=C(\N)NC1CC(c2ccccc2F)C1.I.
What is the InChIKey of 1-[3-(2-fluorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide?
The InChIKey is RDHTVDLGGYXTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O.HI/c1-24-18-9-5-2-6-13(18)12-22-19(21)23-15-10-14(11-15)16-7-3-4-8-17(16)20;/h2-9,14-15H,10-12H2,1H3,(H3,21,22,23);1H.
What are the key properties of 1-[3-(2-fluorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide?
1-[3-(2-fluorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide has a molecular weight of 455.32 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 120671597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).