2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine

C18H23FN4 — CID 111101365

IUPAC2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESCC(C)(C/N=C(\N)NCCc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C18H23FN4/c1-18(2,14-6-8-15(19)9-7-14)13-23-17(20)22-12-10-16-5-3-4-11-21-16/h3-9,11H,10,12-13H2,1-2H3,(H3,20,22,23)
InChIKeyKOQARJZDMUZJBN-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.65
Rot. Bonds6

About 2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine

2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111101365) has the molecular formula C18H23FN4 and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine
PubChem CID111101365
Molecular FormulaC18H23FN4
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC Name2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESCC(C)(C/N=C(\N)NCCc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C18H23FN4/c1-18(2,14-6-8-15(19)9-7-14)13-23-17(20)22-12-10-16-5-3-4-11-21-16/h3-9,11H,10,12-13H2,1-2H3,(H3,20,22,23)
InChIKeyKOQARJZDMUZJBN-UHFFFAOYSA-N
XLogP2.65
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111101364
2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111073574
2-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111093363
2-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111095362
2-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111058070
2-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111037288
1-ethyl-2-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111192996
1-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine
CID 111101337
1-ethyl-2-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192995
2-(4,4-dimethylpentyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111637947
2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111044994
1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111800785

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine (CID 111101365) is 2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine is CC(C)(C/N=C(\N)NCCc1ccccn1)c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is KOQARJZDMUZJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4/c1-18(2,14-6-8-15(19)9-7-14)13-23-17(20)22-12-10-16-5-3-4-11-21-16/h3-9,11H,10,12-13H2,1-2H3,(H3,20,22,23).
What are the key properties of 2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine?
2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 314.41 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111101365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).