1-(3-fluorophenyl)-2-(2-methylpropyl)guanidine

C11H16FN3 — CID 62379621

IUPAC1-(3-fluorophenyl)-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)Nc1cccc(F)c1
InChIInChI=1S/C11H16FN3/c1-8(2)7-14-11(13)15-10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3,(H3,13,14,15)
InChIKeyZMHLRGNIRNTOLH-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.21
Rot. Bonds3

About 1-(3-fluorophenyl)-2-(2-methylpropyl)guanidine

1-(3-fluorophenyl)-2-(2-methylpropyl)guanidine (PubChem CID 62379621) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(2-methylpropyl)guanidine
PubChem CID62379621
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name1-(3-fluorophenyl)-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)Nc1cccc(F)c1
InChIInChI=1S/C11H16FN3/c1-8(2)7-14-11(13)15-10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3,(H3,13,14,15)
InChIKeyZMHLRGNIRNTOLH-UHFFFAOYSA-N
XLogP2.21
TPSA50.41 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 ≤ 52.21
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-(3,5-difluorophenyl)-2-(2-methylpropyl)guanidine
CID 62381463
2-[2-(3-fluorophenoxy)propyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111820519
1-(5-fluoro-2-methylphenyl)-2-(2-methylpropyl)guanidine
CID 62379802
1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 111035398
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-methylpropyl)guanidine
CID 55068216
2-[[amino(anilino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 110917022
1-(3-bromo-4-methylphenyl)-2-(2-methylpropyl)guanidine
CID 63334509
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111089416
1-(2,6-diethylphenyl)-2-(2-methylpropyl)guanidine;hydroiodide
CID 110912607
2-(2-methylpropyl)-1-[4-(trifluoromethyl)phenyl]guanidine
CID 62378704
1-(3,5-dimethylphenyl)-2-[2-(3-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111820505
2-[[amino-(3-methylbutylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111089372

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-(3-fluorophenyl)-2-(2-methylpropyl)guanidine (CID 62379621) is 1-(3-fluorophenyl)-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-(3-fluorophenyl)-2-(2-methylpropyl)guanidine is CC(C)C/N=C(\N)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(2-methylpropyl)guanidine?
The InChIKey is ZMHLRGNIRNTOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c1-8(2)7-14-11(13)15-10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3,(H3,13,14,15).
What are the key properties of 1-(3-fluorophenyl)-2-(2-methylpropyl)guanidine?
1-(3-fluorophenyl)-2-(2-methylpropyl)guanidine has a molecular weight of 209.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 62379621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).