1-[2-(2-fluorophenyl)ethyl]-2,3-dimethylguanidine

C11H16FN3 — CID 110914261

IUPAC1-[2-(2-fluorophenyl)ethyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCCc1ccccc1F
InChIInChI=1S/C11H16FN3/c1-13-11(14-2)15-8-7-9-5-3-4-6-10(9)12/h3-6H,7-8H2,1-2H3,(H2,13,14,15)
InChIKeyFXZCLFZVTOOHBS-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.16
Rot. Bonds3

About 1-[2-(2-fluorophenyl)ethyl]-2,3-dimethylguanidine

1-[2-(2-fluorophenyl)ethyl]-2,3-dimethylguanidine (PubChem CID 110914261) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-2,3-dimethylguanidine
PubChem CID110914261
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCCc1ccccc1F
InChIInChI=1S/C11H16FN3/c1-13-11(14-2)15-8-7-9-5-3-4-6-10(9)12/h3-6H,7-8H2,1-2H3,(H2,13,14,15)
InChIKeyFXZCLFZVTOOHBS-UHFFFAOYSA-N
XLogP1.16
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.16
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'}

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Related Compounds

1-[2-(2-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111266097
1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
CID 111340223
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111002258
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide
CID 111361182
1-[2-(2,5-difluorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide
CID 111573047
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-(3-methylsulfanylpropyl)guanidine
CID 111785925
1-[3-(dimethylamino)propyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111361404
1-[2-(2-fluorophenyl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111355633
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine
CID 111362951
1-(2-butoxyethyl)-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111361650
N-[3-[[N-[2-(2-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]propyl]benzamide;hydroiodide
CID 111362894
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111362093

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-2,3-dimethylguanidine (CID 110914261) is 1-[2-(2-fluorophenyl)ethyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-2,3-dimethylguanidine is C/N=C(\NC)NCCc1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-2,3-dimethylguanidine?
The InChIKey is FXZCLFZVTOOHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c1-13-11(14-2)15-8-7-9-5-3-4-6-10(9)12/h3-6H,7-8H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-2,3-dimethylguanidine?
1-[2-(2-fluorophenyl)ethyl]-2,3-dimethylguanidine has a molecular weight of 209.27 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethyl]-2,3-dimethylguanidine is sourced from PubChem (CID 110914261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).