2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-propylguanidine

C16H19FN4O — CID 111083129

IUPAC2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/Cc1ccc(Oc2cccnc2)c(F)c1
InChIInChI=1S/C16H19FN4O/c1-2-7-20-16(18)21-10-12-5-6-15(14(17)9-12)22-13-4-3-8-19-11-13/h3-6,8-9,11H,2,7,10H2,1H3,(H3,18,20,21)
InChIKeyWFXFVNKNJXGUHG-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.83
Rot. Bonds6

About 2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-propylguanidine

2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-propylguanidine (PubChem CID 111083129) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-propylguanidine.

Molecular Properties

Compound Name2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-propylguanidine
PubChem CID111083129
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/Cc1ccc(Oc2cccnc2)c(F)c1
InChIInChI=1S/C16H19FN4O/c1-2-7-20-16(18)21-10-12-5-6-15(14(17)9-12)22-13-4-3-8-19-11-13/h3-6,8-9,11H,2,7,10H2,1H3,(H3,18,20,21)
InChIKeyWFXFVNKNJXGUHG-UHFFFAOYSA-N
XLogP2.83
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.83
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'}

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Related Compounds

2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111083134
2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111083165
2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111083112
1-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111228372
1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]guanidine;hydroiodide
CID 111202249
1-(cyclopropylmethyl)-3-ethyl-2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]guanidine
CID 111868064
1-ethyl-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]guanidine
CID 111700827
N'-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide
CID 110920995
N'-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111083185
1-ethyl-2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-[2-(2-hydroxyethyl)pentyl]guanidine
CID 111713223
1-[2-(3-fluoro-4-phenoxyphenyl)ethyl]-2-propylguanidine
CID 111975693
1-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-methyl-3-pentylguanidine
CID 111129359

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-propylguanidine?
The IUPAC name of 2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-propylguanidine (CID 111083129) is 2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-propylguanidine.
What is the SMILES notation for 2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-propylguanidine?
The canonical SMILES for 2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-propylguanidine is CCCN/C(N)=N/Cc1ccc(Oc2cccnc2)c(F)c1.
What is the InChIKey of 2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-propylguanidine?
The InChIKey is WFXFVNKNJXGUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-2-7-20-16(18)21-10-12-5-6-15(14(17)9-12)22-13-4-3-8-19-11-13/h3-6,8-9,11H,2,7,10H2,1H3,(H3,18,20,21).
What are the key properties of 2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-propylguanidine?
2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-propylguanidine has a molecular weight of 302.35 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-propylguanidine is sourced from PubChem (CID 111083129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).