2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylguanidine

C16H20FN5 — CID 119118613

IUPAC2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylguanidine
SMILESCN(C)C(C/N=C(\N)Nc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C16H20FN5/c1-22(2)14(12-6-8-13(17)9-7-12)11-20-16(18)21-15-5-3-4-10-19-15/h3-10,14H,11H2,1-2H3,(H3,18,19,20,21)
InChIKeyGPHLBSAPSUEMCK-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.25
Rot. Bonds5

About 2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylguanidine

2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylguanidine (PubChem CID 119118613) has the molecular formula C16H20FN5 and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylguanidine.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylguanidine
PubChem CID119118613
Molecular FormulaC16H20FN5
Molecular Weight301.37 g/mol
Exact Mass301.17
IUPAC Name2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylguanidine
SMILESCN(C)C(C/N=C(\N)Nc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C16H20FN5/c1-22(2)14(12-6-8-13(17)9-7-12)11-20-16(18)21-15-5-3-4-10-19-15/h3-10,14H,11H2,1-2H3,(H3,18,19,20,21)
InChIKeyGPHLBSAPSUEMCK-UHFFFAOYSA-N
XLogP2.25
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylguanidine with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(3,4-dimethylphenyl)guanidine
CID 111056501
1-pyridin-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide
CID 119118280
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111056519
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111056482
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192733
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1,1-diethylguanidine;hydroiodide
CID 111056502
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine
CID 119120610
2-[[2-(4-fluorophenyl)-1-(hydroxymethyl)cyclopropyl]methyl]-1-pyridin-2-ylguanidine
CID 122082078
2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119117281
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119120609
2-[2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylguanidine
CID 111026200
(2R)-2-(4-fluorophenyl)-2-(pyridin-2-ylcarbamoylamino)acetamide
CID 100749906

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylguanidine?
The IUPAC name of 2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylguanidine (CID 119118613) is 2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylguanidine.
What is the SMILES notation for 2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylguanidine?
The canonical SMILES for 2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylguanidine is CN(C)C(C/N=C(\N)Nc1ccccn1)c1ccc(F)cc1.
What is the InChIKey of 2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylguanidine?
The InChIKey is GPHLBSAPSUEMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5/c1-22(2)14(12-6-8-13(17)9-7-12)11-20-16(18)21-15-5-3-4-10-19-15/h3-10,14H,11H2,1-2H3,(H3,18,19,20,21).
What are the key properties of 2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylguanidine?
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylguanidine has a molecular weight of 301.37 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylguanidine is sourced from PubChem (CID 119118613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).