1-(2-cyclopropylethyl)-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide

C14H21FIN3 — CID 111604575

IUPAC1-(2-cyclopropylethyl)-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCC1CC1)NCc1ccccc1F.I
InChIInChI=1S/C14H20FN3.HI/c1-16-14(17-9-8-11-6-7-11)18-10-12-4-2-3-5-13(12)15;/h2-5,11H,6-10H2,1H3,(H2,16,17,18);1H
InChIKeyUZWKFPZQHMYEKZ-UHFFFAOYSA-N
MW377.25 g/mol
LogP2.91
Rot. Bonds5

About 1-(2-cyclopropylethyl)-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide

1-(2-cyclopropylethyl)-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide (PubChem CID 111604575) has the molecular formula C14H21FIN3 and a molecular weight of 377.25 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
PubChem CID111604575
Molecular FormulaC14H21FIN3
Molecular Weight377.25 g/mol
Exact Mass377.08
IUPAC Name1-(2-cyclopropylethyl)-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCC1CC1)NCc1ccccc1F.I
InChIInChI=1S/C14H20FN3.HI/c1-16-14(17-9-8-11-6-7-11)18-10-12-4-2-3-5-13(12)15;/h2-5,11H,6-10H2,1H3,(H2,16,17,18);1H
InChIKeyUZWKFPZQHMYEKZ-UHFFFAOYSA-N
XLogP2.91
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-cyclopropylethyl)-3-[(2-fluorophenyl)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-chlorophenyl)methyl]-3-(2-cyclopropylethyl)-2-methylguanidine;hydroiodide
CID 111604958
1-[(2-chlorophenyl)methyl]-3-(2-cyclopropylethyl)-2-methylguanidine
CID 111604959
1-(2-cyclopropylethyl)-3-[(2-ethoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111604708
1-[2-(2-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111266097
1-[(2-fluorophenyl)methyl]-2-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 111265638
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine
CID 111785961
1-[(2-fluorophenyl)methyl]-2-methyl-3-pentylguanidine
CID 111128251
1-[(2-fluorophenyl)methyl]-2-methyl-3-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 111644103
1-[(2-fluorophenyl)methyl]-2-methyl-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111626539
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
1-[(2-fluorophenyl)methyl]-2-methyl-3-(4-methylpentyl)guanidine
CID 111266057

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(2-cyclopropylethyl)-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide (CID 111604575) is 1-(2-cyclopropylethyl)-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(2-cyclopropylethyl)-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(2-cyclopropylethyl)-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide is C/N=C(\NCCC1CC1)NCc1ccccc1F.I.
What is the InChIKey of 1-(2-cyclopropylethyl)-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide?
The InChIKey is UZWKFPZQHMYEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3.HI/c1-16-14(17-9-8-11-6-7-11)18-10-12-4-2-3-5-13(12)15;/h2-5,11H,6-10H2,1H3,(H2,16,17,18);1H.
What are the key properties of 1-(2-cyclopropylethyl)-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide?
1-(2-cyclopropylethyl)-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide has a molecular weight of 377.25 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111604575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).