2-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]guanidine

C15H17FN4 — CID 14660391

IUPAC2-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]guanidine
SMILESNC(N)=NCCC(c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C15H17FN4/c16-12-6-4-11(5-7-12)13(8-10-20-15(17)18)14-3-1-2-9-19-14/h1-7,9,13H,8,10H2,(H4,17,18,20)
InChIKeyKIKDYOMNMIMECQ-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.02
Rot. Bonds5

About 2-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]guanidine

2-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]guanidine (PubChem CID 14660391) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]guanidine.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]guanidine
PubChem CID14660391
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC Name2-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]guanidine
SMILESNC(N)=NCCC(c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C15H17FN4/c16-12-6-4-11(5-7-12)13(8-10-20-15(17)18)14-3-1-2-9-19-14/h1-7,9,13H,8,10H2,(H4,17,18,20)
InChIKeyKIKDYOMNMIMECQ-UHFFFAOYSA-N
XLogP2.02
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.02
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-(4-fluorophenyl)-2-pyridin-2-ylethanamine
CID 82040232
methyl N'-[3-(4-methoxyphenyl)-3-pyridin-2-ylpropyl]carbamimidothioate
CID 14126571
(4S)-4-phenyl-4-pyridin-2-ylbutanoic acid
CID 95562119
2-[phenyl(pyridin-2-yl)methyl]guanidine
CID 54045340
3-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]-1,1-dimethylurea
CID 110362940
N-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]furan-2-carboxamide
CID 16928028
1-(4-fluorophenyl)-2-pyridin-2-ylpropan-1-amine
CID 66446030
1-(4-fluorophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol
CID 81401380
2-[(4-fluorophenyl)-isocyanomethyl]pyridine
CID 162491168
2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine
CID 146530371
2-[2-(4-fluorophenyl)ethyl]guanidine
CID 7176009
dimethyl-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]azanium
CID 6954515

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]guanidine?
The IUPAC name of 2-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]guanidine (CID 14660391) is 2-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]guanidine.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]guanidine?
The canonical SMILES for 2-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]guanidine is NC(N)=NCCC(c1ccc(F)cc1)c1ccccn1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]guanidine?
The InChIKey is KIKDYOMNMIMECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c16-12-6-4-11(5-7-12)13(8-10-20-15(17)18)14-3-1-2-9-19-14/h1-7,9,13H,8,10H2,(H4,17,18,20).
What are the key properties of 2-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]guanidine?
2-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]guanidine has a molecular weight of 272.33 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]guanidine is sourced from PubChem (CID 14660391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).