1-(4-fluorophenyl)-1-methyl-2-phenylguanidine

C14H14FN3 — CID 62362300

IUPAC1-(4-fluorophenyl)-1-methyl-2-phenylguanidine
SMILESCN(/C(N)=N/c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H14FN3/c1-18(13-9-7-11(15)8-10-13)14(16)17-12-5-3-2-4-6-12/h2-10H,1H3,(H2,16,17)
InChIKeyNJXYBKKPLDUCBA-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.91
Rot. Bonds2

About 1-(4-fluorophenyl)-1-methyl-2-phenylguanidine

1-(4-fluorophenyl)-1-methyl-2-phenylguanidine (PubChem CID 62362300) has the molecular formula C14H14FN3 and a molecular weight of 243.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-methyl-2-phenylguanidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-methyl-2-phenylguanidine
PubChem CID62362300
Molecular FormulaC14H14FN3
Molecular Weight243.28 g/mol
Exact Mass243.12
IUPAC Name1-(4-fluorophenyl)-1-methyl-2-phenylguanidine
SMILESCN(/C(N)=N/c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H14FN3/c1-18(13-9-7-11(15)8-10-13)14(16)17-12-5-3-2-4-6-12/h2-10H,1H3,(H2,16,17)
InChIKeyNJXYBKKPLDUCBA-UHFFFAOYSA-N
XLogP2.91
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(4-fluorophenyl)-1-methyl-2-phenylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-methyl-2-phenylguanidine?
The IUPAC name of 1-(4-fluorophenyl)-1-methyl-2-phenylguanidine (CID 62362300) is 1-(4-fluorophenyl)-1-methyl-2-phenylguanidine.
What is the SMILES notation for 1-(4-fluorophenyl)-1-methyl-2-phenylguanidine?
The canonical SMILES for 1-(4-fluorophenyl)-1-methyl-2-phenylguanidine is CN(/C(N)=N/c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-1-methyl-2-phenylguanidine?
The InChIKey is NJXYBKKPLDUCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3/c1-18(13-9-7-11(15)8-10-13)14(16)17-12-5-3-2-4-6-12/h2-10H,1H3,(H2,16,17).
What are the key properties of 1-(4-fluorophenyl)-1-methyl-2-phenylguanidine?
1-(4-fluorophenyl)-1-methyl-2-phenylguanidine has a molecular weight of 243.28 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-methyl-2-phenylguanidine is sourced from PubChem (CID 62362300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).