1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide

C17H21FIN3S — CID 111331003

IUPAC1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide
SMILESC/N=C(\NC(C)c1cccs1)NC1CC1c1ccccc1F.I
InChIInChI=1S/C17H20FN3S.HI/c1-11(16-8-5-9-22-16)20-17(19-2)21-15-10-13(15)12-6-3-4-7-14(12)18;/h3-9,11,13,15H,10H2,1-2H3,(H2,19,20,21);1H
InChIKeyDMANRSJKLIFDIM-UHFFFAOYSA-N
MW445.35 g/mol
LogP4.29
Rot. Bonds4

About 1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide

1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide (PubChem CID 111331003) has the molecular formula C17H21FIN3S and a molecular weight of 445.35 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide
PubChem CID111331003
Molecular FormulaC17H21FIN3S
Molecular Weight445.35 g/mol
Exact Mass445.05
IUPAC Name1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide
SMILESC/N=C(\NC(C)c1cccs1)NC1CC1c1ccccc1F.I
InChIInChI=1S/C17H20FN3S.HI/c1-11(16-8-5-9-22-16)20-17(19-2)21-15-10-13(15)12-6-3-4-7-14(12)18;/h3-9,11,13,15H,10H2,1-2H3,(H2,19,20,21);1H
InChIKeyDMANRSJKLIFDIM-UHFFFAOYSA-N
XLogP4.29
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.35
LogP ≤ 54.29
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-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-(1-thiophen-2-ylethyl)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-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111012696
1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942222
1-[2-(2,3-difluorophenyl)ethyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111566702
1-[1-(3,4-difluorophenyl)ethyl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111324347
1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-(3-phenylpropyl)guanidine
CID 111198612
1-[2-(2-fluorophenyl)cyclopropyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 110938675
1-[2-(2-fluorophenyl)cyclopropyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111877896
1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 111410312
1-(3-butoxypropyl)-3-[2-(2-fluorophenyl)cyclopropyl]-2-methylguanidine
CID 111238889
1-(1-benzylpiperidin-4-yl)-3-[2-(2-fluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide
CID 110987187
2-methyl-1-propan-2-yl-3-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]guanidine
CID 111772028
1-[2-(2-fluorophenyl)cyclopropyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111405267

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide (CID 111331003) is 1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide is C/N=C(\NC(C)c1cccs1)NC1CC1c1ccccc1F.I.
What is the InChIKey of 1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide?
The InChIKey is DMANRSJKLIFDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3S.HI/c1-11(16-8-5-9-22-16)20-17(19-2)21-15-10-13(15)12-6-3-4-7-14(12)18;/h3-9,11,13,15H,10H2,1-2H3,(H2,19,20,21);1H.
What are the key properties of 1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide?
1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide has a molecular weight of 445.35 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-(1-thiophen-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111331003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).