1-ethyl-3-[2-(4-fluorophenoxy)propyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine

C19H25FN4O — CID 111678490

IUPAC1-ethyl-3-[2-(4-fluorophenoxy)propyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1cccc(C)n1)NCC(C)Oc1ccc(F)cc1
InChIInChI=1S/C19H25FN4O/c1-4-21-19(23-13-17-7-5-6-14(2)24-17)22-12-15(3)25-18-10-8-16(20)9-11-18/h5-11,15H,4,12-13H2,1-3H3,(H2,21,22,23)
InChIKeyUGSZSJSXOJSKIL-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.05
Rot. Bonds7

About 1-ethyl-3-[2-(4-fluorophenoxy)propyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine

1-ethyl-3-[2-(4-fluorophenoxy)propyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine (PubChem CID 111678490) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-ethyl-3-[2-(4-fluorophenoxy)propyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(4-fluorophenoxy)propyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine
PubChem CID111678490
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name1-ethyl-3-[2-(4-fluorophenoxy)propyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1cccc(C)n1)NCC(C)Oc1ccc(F)cc1
InChIInChI=1S/C19H25FN4O/c1-4-21-19(23-13-17-7-5-6-14(2)24-17)22-12-15(3)25-18-10-8-16(20)9-11-18/h5-11,15H,4,12-13H2,1-3H3,(H2,21,22,23)
InChIKeyUGSZSJSXOJSKIL-UHFFFAOYSA-N
XLogP3.05
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.05
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

1-ethyl-3-[2-(3-fluorophenoxy)propyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111681714
1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111683168
1-ethyl-2-[(4-fluorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111232793
1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111684529
1-ethyl-3-[2-(4-methoxyphenoxy)propyl]-2-(pyridin-2-ylmethyl)guanidine
CID 111547547
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-[2-(2-methylphenoxy)propyl]guanidine
CID 109404453
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-[2-(3-methylphenoxy)propyl]guanidine
CID 109404443
2-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-[2-(4-fluorophenoxy)propyl]guanidine
CID 111678324
1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 109409926
1-ethyl-3-[2-(4-fluorophenoxy)propyl]-2-[(3-sulfamoylphenyl)methyl]guanidine
CID 111678172
1-ethyl-3-[2-(2-methylphenoxy)propyl]-2-(pyridin-2-ylmethyl)guanidine
CID 111493980
1-[2-(2-bromophenoxy)propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 111968069

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(4-fluorophenoxy)propyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-[2-(4-fluorophenoxy)propyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine (CID 111678490) is 1-ethyl-3-[2-(4-fluorophenoxy)propyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(4-fluorophenoxy)propyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-[2-(4-fluorophenoxy)propyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine is CCN/C(=N\Cc1cccc(C)n1)NCC(C)Oc1ccc(F)cc1.
What is the InChIKey of 1-ethyl-3-[2-(4-fluorophenoxy)propyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine?
The InChIKey is UGSZSJSXOJSKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-4-21-19(23-13-17-7-5-6-14(2)24-17)22-12-15(3)25-18-10-8-16(20)9-11-18/h5-11,15H,4,12-13H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-ethyl-3-[2-(4-fluorophenoxy)propyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine?
1-ethyl-3-[2-(4-fluorophenoxy)propyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine has a molecular weight of 344.43 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(4-fluorophenoxy)propyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111678490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).