1-ethyl-2-[(2-fluorophenyl)methyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide

C16H28FIN4O — CID 111265348

IUPAC1-ethyl-2-[(2-fluorophenyl)methyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccccc1F)NCCN(C)CCOC.I
InChIInChI=1S/C16H27FN4O.HI/c1-4-18-16(19-9-10-21(2)11-12-22-3)20-13-14-7-5-6-8-15(14)17;/h5-8H,4,9-13H2,1-3H3,(H2,18,19,20);1H
InChIKeySWTWSYJEPIYKTF-UHFFFAOYSA-N
MW438.33 g/mol
LogP2.08
Rot. Bonds9

About 1-ethyl-2-[(2-fluorophenyl)methyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide

1-ethyl-2-[(2-fluorophenyl)methyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide (PubChem CID 111265348) has the molecular formula C16H28FIN4O and a molecular weight of 438.33 g/mol. Its IUPAC name is 1-ethyl-2-[(2-fluorophenyl)methyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[(2-fluorophenyl)methyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
PubChem CID111265348
Molecular FormulaC16H28FIN4O
Molecular Weight438.33 g/mol
Exact Mass438.13
IUPAC Name1-ethyl-2-[(2-fluorophenyl)methyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccccc1F)NCCN(C)CCOC.I
InChIInChI=1S/C16H27FN4O.HI/c1-4-18-16(19-9-10-21(2)11-12-22-3)20-13-14-7-5-6-8-15(14)17;/h5-8H,4,9-13H2,1-3H3,(H2,18,19,20);1H
InChIKeySWTWSYJEPIYKTF-UHFFFAOYSA-N
XLogP2.08
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.33
LogP ≤ 52.08
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chlorophenyl)methyl]-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
CID 111175303
1-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111889336
1-ethyl-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-[(2-methoxyphenyl)methyl]guanidine
CID 111216497
1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-[(2-fluorophenyl)methyl]guanidine;hydroiodide
CID 111837364
1-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)guanidine;hydroiodide
CID 111265362
2-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111878374
2-[[2-(ethoxymethyl)phenyl]methyl]-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652602
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine
CID 111653188
1-(4-ethoxybutyl)-3-ethyl-2-[(2-fluorophenyl)methyl]guanidine;hydroiodide
CID 111264882
2-[(5-cyano-2-fluorophenyl)methyl]-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111988483
1-[3-(diethylamino)propyl]-3-ethyl-2-[(2-fluorophenyl)methyl]guanidine
CID 111266619
1-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111651159

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2-fluorophenyl)methyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[(2-fluorophenyl)methyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide (CID 111265348) is 1-ethyl-2-[(2-fluorophenyl)methyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[(2-fluorophenyl)methyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[(2-fluorophenyl)methyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide is CCN/C(=N\Cc1ccccc1F)NCCN(C)CCOC.I.
What is the InChIKey of 1-ethyl-2-[(2-fluorophenyl)methyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide?
The InChIKey is SWTWSYJEPIYKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN4O.HI/c1-4-18-16(19-9-10-21(2)11-12-22-3)20-13-14-7-5-6-8-15(14)17;/h5-8H,4,9-13H2,1-3H3,(H2,18,19,20);1H.
What are the key properties of 1-ethyl-2-[(2-fluorophenyl)methyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide?
1-ethyl-2-[(2-fluorophenyl)methyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide has a molecular weight of 438.33 g/mol, XLogP of 2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2-fluorophenyl)methyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111265348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).