2-[3-(3,5-difluorophenyl)cyclobutyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide

C19H22F2IN3O2 — CID 120671766

IUPAC2-[3-(3,5-difluorophenyl)cyclobutyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
SMILESCOc1ccc(N/C(N)=N/C2CC(c3cc(F)cc(F)c3)C2)cc1OC.I
InChIInChI=1S/C19H21F2N3O2.HI/c1-25-17-4-3-15(10-18(17)26-2)23-19(22)24-16-7-12(8-16)11-5-13(20)9-14(21)6-11;/h3-6,9-10,12,16H,7-8H2,1-2H3,(H3,22,23,24);1H
InChIKeyQOBQCDIXBAWYBT-UHFFFAOYSA-N
MW489.30 g/mol
LogP4.27
Rot. Bonds5

About 2-[3-(3,5-difluorophenyl)cyclobutyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide

2-[3-(3,5-difluorophenyl)cyclobutyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide (PubChem CID 120671766) has the molecular formula C19H22F2IN3O2 and a molecular weight of 489.30 g/mol. Its IUPAC name is 2-[3-(3,5-difluorophenyl)cyclobutyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[3-(3,5-difluorophenyl)cyclobutyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
PubChem CID120671766
Molecular FormulaC19H22F2IN3O2
Molecular Weight489.30 g/mol
Exact Mass489.07
IUPAC Name2-[3-(3,5-difluorophenyl)cyclobutyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
SMILESCOc1ccc(N/C(N)=N/C2CC(c3cc(F)cc(F)c3)C2)cc1OC.I
InChIInChI=1S/C19H21F2N3O2.HI/c1-25-17-4-3-15(10-18(17)26-2)23-19(22)24-16-7-12(8-16)11-5-13(20)9-14(21)6-11;/h3-6,9-10,12,16H,7-8H2,1-2H3,(H3,22,23,24);1H
InChIKeyQOBQCDIXBAWYBT-UHFFFAOYSA-N
XLogP4.27
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.30
LogP ≤ 54.27
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 2-[3-(3,5-difluorophenyl)cyclobutyl]-1-(3,4-dimethoxyphenyl)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

2-cyclobutyl-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 119146746
2-cyclobutyl-1-(3,4-dimethoxyphenyl)guanidine
CID 119146747
1-(3-chloro-4-methoxyphenyl)-2-[3-(2-fluorophenyl)cyclobutyl]guanidine
CID 120671586
1-(3,4-dimethoxyphenyl)-2-(2-methylcyclopropyl)guanidine
CID 111069220
1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine
CID 120663010
2-[2-(2,6-difluorophenyl)cyclopropyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 111815333
1-tert-butyl-2-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]guanidine;hydroiodide
CID 120762824
2-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120762834
2-[3-(3-chloro-4-fluorophenyl)cyclobutyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 120679887
1-(3-chloro-4-methoxyphenyl)-2-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111069239
2-[3-(3-bromo-4-fluorophenyl)cyclobutyl]-1-(3-methoxyphenyl)guanidine
CID 120666120
1-(3,4-dimethoxyphenyl)-2-methylguanidine
CID 62381082

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-difluorophenyl)cyclobutyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[3-(3,5-difluorophenyl)cyclobutyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide (CID 120671766) is 2-[3-(3,5-difluorophenyl)cyclobutyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[3-(3,5-difluorophenyl)cyclobutyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[3-(3,5-difluorophenyl)cyclobutyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide is COc1ccc(N/C(N)=N/C2CC(c3cc(F)cc(F)c3)C2)cc1OC.I.
What is the InChIKey of 2-[3-(3,5-difluorophenyl)cyclobutyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide?
The InChIKey is QOBQCDIXBAWYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2.HI/c1-25-17-4-3-15(10-18(17)26-2)23-19(22)24-16-7-12(8-16)11-5-13(20)9-14(21)6-11;/h3-6,9-10,12,16H,7-8H2,1-2H3,(H3,22,23,24);1H.
What are the key properties of 2-[3-(3,5-difluorophenyl)cyclobutyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide?
2-[3-(3,5-difluorophenyl)cyclobutyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide has a molecular weight of 489.30 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-difluorophenyl)cyclobutyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide is sourced from PubChem (CID 120671766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).