2-ethyl-1-(2-fluoro-3-methylphenyl)guanidine

C10H14FN3 — CID 130497399

IUPAC2-ethyl-1-(2-fluoro-3-methylphenyl)guanidine
SMILESCC/N=C(\N)Nc1cccc(C)c1F
InChIInChI=1S/C10H14FN3/c1-3-13-10(12)14-8-6-4-5-7(2)9(8)11/h4-6H,3H2,1-2H3,(H3,12,13,14)
InChIKeyFUTVXCZTOOJHAB-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.88
Rot. Bonds2

About 2-ethyl-1-(2-fluoro-3-methylphenyl)guanidine

2-ethyl-1-(2-fluoro-3-methylphenyl)guanidine (PubChem CID 130497399) has the molecular formula C10H14FN3 and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-ethyl-1-(2-fluoro-3-methylphenyl)guanidine.

Molecular Properties

Compound Name2-ethyl-1-(2-fluoro-3-methylphenyl)guanidine
PubChem CID130497399
Molecular FormulaC10H14FN3
Molecular Weight195.24 g/mol
Exact Mass195.12
IUPAC Name2-ethyl-1-(2-fluoro-3-methylphenyl)guanidine
SMILESCC/N=C(\N)Nc1cccc(C)c1F
InChIInChI=1S/C10H14FN3/c1-3-13-10(12)14-8-6-4-5-7(2)9(8)11/h4-6H,3H2,1-2H3,(H3,12,13,14)
InChIKeyFUTVXCZTOOJHAB-UHFFFAOYSA-N
XLogP1.88
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.88
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-(2,3-dimethylphenyl)-2-ethylguanidine;hydroiodide
CID 117068479
2-ethyl-1-(2-fluoro-3-methylsulfonylphenyl)guanidine
CID 146497668
1-(2,6-dimethylphenyl)-2-ethylguanidine
CID 62378906
2-ethyl-1-(3-fluoro-2-iodophenyl)guanidine
CID 130499719
2-ethyl-1-(4-fluoro-2-methylphenyl)guanidine
CID 62381276
1-(5-bromo-2-fluorophenyl)-2-ethylguanidine
CID 62381111
2-ethyl-1-(5-iodo-2-methylphenyl)guanidine
CID 130498289
1-(2-chloro-5-fluorophenyl)-2-ethylguanidine
CID 107531361
ethane;N-(2-fluoro-3-methylphenyl)acetamide
CID 145070564
2-ethyl-1-(3,4,5-trifluorophenyl)guanidine
CID 62811946
(2-fluoro-3-methylphenyl)hydrazine
CID 55280946
1-[4-(2-aminoethyl)-2-methylphenyl]-2-ethylguanidine;dihydrochloride
CID 18622046

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-fluoro-3-methylphenyl)guanidine?
The IUPAC name of 2-ethyl-1-(2-fluoro-3-methylphenyl)guanidine (CID 130497399) is 2-ethyl-1-(2-fluoro-3-methylphenyl)guanidine.
What is the SMILES notation for 2-ethyl-1-(2-fluoro-3-methylphenyl)guanidine?
The canonical SMILES for 2-ethyl-1-(2-fluoro-3-methylphenyl)guanidine is CC/N=C(\N)Nc1cccc(C)c1F.
What is the InChIKey of 2-ethyl-1-(2-fluoro-3-methylphenyl)guanidine?
The InChIKey is FUTVXCZTOOJHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3/c1-3-13-10(12)14-8-6-4-5-7(2)9(8)11/h4-6H,3H2,1-2H3,(H3,12,13,14).
What are the key properties of 2-ethyl-1-(2-fluoro-3-methylphenyl)guanidine?
2-ethyl-1-(2-fluoro-3-methylphenyl)guanidine has a molecular weight of 195.24 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-fluoro-3-methylphenyl)guanidine is sourced from PubChem (CID 130497399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).