1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide

C16H25FIN3 — CID 111713494

IUPAC1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide
SMILESCCCC1CC1N/C(=N/C)NCc1ccc(C)c(F)c1.I
InChIInChI=1S/C16H24FN3.HI/c1-4-5-13-9-15(13)20-16(18-3)19-10-12-7-6-11(2)14(17)8-12;/h6-8,13,15H,4-5,9-10H2,1-3H3,(H2,18,19,20);1H
InChIKeyUYGTWSIHMFBKEH-UHFFFAOYSA-N
MW405.30 g/mol
LogP3.61
Rot. Bonds5

About 1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide

1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide (PubChem CID 111713494) has the molecular formula C16H25FIN3 and a molecular weight of 405.30 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide
PubChem CID111713494
Molecular FormulaC16H25FIN3
Molecular Weight405.30 g/mol
Exact Mass405.11
IUPAC Name1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide
SMILESCCCC1CC1N/C(=N/C)NCc1ccc(C)c(F)c1.I
InChIInChI=1S/C16H24FN3.HI/c1-4-5-13-9-15(13)20-16(18-3)19-10-12-7-6-11(2)14(17)8-12;/h6-8,13,15H,4-5,9-10H2,1-3H3,(H2,18,19,20);1H
InChIKeyUYGTWSIHMFBKEH-UHFFFAOYSA-N
XLogP3.61
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 53.61
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'}

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Related Compounds

1-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide
CID 109444718
1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide
CID 111846654
1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111963014
1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110979148
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111713498
1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111226644
1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111847338
3-[(3-fluoro-4-methylphenyl)methyl]-1,1,2-trimethylguanidine;hydroiodide
CID 111844886
1-[(3-fluoro-4-methylphenyl)methyl]-3-[[4-(methoxymethyl)phenyl]methyl]-2-methylguanidine
CID 111847075
1-[(2,5-dimethylfuran-3-yl)methyl]-3-[(3-fluoro-4-methylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111580780
2-methyl-1-(3-phenoxypropyl)-3-(2-propylcyclopropyl)guanidine
CID 111713555
1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111135631

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide?
The IUPAC name of 1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide (CID 111713494) is 1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide is CCCC1CC1N/C(=N/C)NCc1ccc(C)c(F)c1.I.
What is the InChIKey of 1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide?
The InChIKey is UYGTWSIHMFBKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3.HI/c1-4-5-13-9-15(13)20-16(18-3)19-10-12-7-6-11(2)14(17)8-12;/h6-8,13,15H,4-5,9-10H2,1-3H3,(H2,18,19,20);1H.
What are the key properties of 1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide?
1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide has a molecular weight of 405.30 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide is sourced from PubChem (CID 111713494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).