1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide

C19H26FIN4O2 — CID 111684529

IUPAC1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1cccc(OC)n1)NCC(C)Oc1ccccc1F.I
InChIInChI=1S/C19H25FN4O2.HI/c1-4-21-19(23-13-15-8-7-11-18(24-15)25-3)22-12-14(2)26-17-10-6-5-9-16(17)20;/h5-11,14H,4,12-13H2,1-3H3,(H2,21,22,23);1H
InChIKeyOGKLAJBJGUJTBE-UHFFFAOYSA-N
MW488.35 g/mol
LogP3.37
Rot. Bonds8

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

1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide (PubChem CID 111684529) has the molecular formula C19H26FIN4O2 and a molecular weight of 488.35 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide
PubChem CID111684529
Molecular FormulaC19H26FIN4O2
Molecular Weight488.35 g/mol
Exact Mass488.11
IUPAC Name1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1cccc(OC)n1)NCC(C)Oc1ccccc1F.I
InChIInChI=1S/C19H25FN4O2.HI/c1-4-21-19(23-13-15-8-7-11-18(24-15)25-3)22-12-14(2)26-17-10-6-5-9-16(17)20;/h5-11,14H,4,12-13H2,1-3H3,(H2,21,22,23);1H
InChIKeyOGKLAJBJGUJTBE-UHFFFAOYSA-N
XLogP3.37
TPSA67.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.35
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111683168
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
CID 111362133
1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-[[2-(methoxymethyl)phenyl]methyl]guanidine
CID 111684844
1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine;hydroiodide
CID 111683937
1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111710756
1-ethyl-3-[2-(4-fluorophenoxy)propyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111678490
1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-(1H-pyrazol-5-ylmethyl)guanidine
CID 111683906
1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine
CID 111683938
1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(4-methylpentyl)guanidine;hydroiodide
CID 111943648
1-ethyl-3-[2-(2-hydroxyethyl)pentyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111712840
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-[2-(2-methylphenoxy)propyl]guanidine
CID 109404453
1-butan-2-yl-3-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
CID 110943978

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide (CID 111684529) is 1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide is CCN/C(=N\Cc1cccc(OC)n1)NCC(C)Oc1ccccc1F.I.
What is the InChIKey of 1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide?
The InChIKey is OGKLAJBJGUJTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2.HI/c1-4-21-19(23-13-15-8-7-11-18(24-15)25-3)22-12-14(2)26-17-10-6-5-9-16(17)20;/h5-11,14H,4,12-13H2,1-3H3,(H2,21,22,23);1H.
What are the key properties of 1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide?
1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide has a molecular weight of 488.35 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111684529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).