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

C16H19FN4O — CID 111058070

IUPAC2-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESN/C(=N\CC(O)c1ccc(F)cc1)NCCc1ccccn1
InChIInChI=1S/C16H19FN4O/c17-13-6-4-12(5-7-13)15(22)11-21-16(18)20-10-8-14-3-1-2-9-19-14/h1-7,9,15,22H,8,10-11H2,(H3,18,20,21)
InChIKeyYWVIQXHHDMLHDA-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.40
Rot. Bonds6

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

2-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111058070) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(2-pyridin-2-ylethyl)guanidine
PubChem CID111058070
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name2-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESN/C(=N\CC(O)c1ccc(F)cc1)NCCc1ccccn1
InChIInChI=1S/C16H19FN4O/c17-13-6-4-12(5-7-13)15(22)11-21-16(18)20-10-8-14-3-1-2-9-19-14/h1-7,9,15,22H,8,10-11H2,(H3,18,20,21)
InChIKeyYWVIQXHHDMLHDA-UHFFFAOYSA-N
XLogP1.40
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111025296
2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111028097
2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111101365
2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111101364
2-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111037288
1-(2-pyridin-2-ylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111800785
1-(2-pyridin-2-ylethyl)-2-(2-thiophen-3-ylpropyl)guanidine
CID 111704436
2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111044994
1-(2-pyridin-2-ylethyl)-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111816863
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide
CID 111032170
2-(2-methylnonyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111076559
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192733

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 2-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(2-pyridin-2-ylethyl)guanidine (CID 111058070) is 2-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 2-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(2-pyridin-2-ylethyl)guanidine is N/C(=N\CC(O)c1ccc(F)cc1)NCCc1ccccn1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is YWVIQXHHDMLHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c17-13-6-4-12(5-7-13)15(22)11-21-16(18)20-10-8-14-3-1-2-9-19-14/h1-7,9,15,22H,8,10-11H2,(H3,18,20,21).
What are the key properties of 2-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(2-pyridin-2-ylethyl)guanidine?
2-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 302.35 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111058070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).