2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide

C10H15FIN3O — CID 111108944

IUPAC2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
SMILESCOCc1cc(CN=C(N)N)ccc1F.I
InChIInChI=1S/C10H14FN3O.HI/c1-15-6-8-4-7(2-3-9(8)11)5-14-10(12)13;/h2-4H,5-6H2,1H3,(H4,12,13,14);1H
InChIKeyRTQNZDQIYYMWDU-UHFFFAOYSA-N
MW339.15 g/mol
LogP1.36
Rot. Bonds4

About 2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide

2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide (PubChem CID 111108944) has the molecular formula C10H15FIN3O and a molecular weight of 339.15 g/mol. Its IUPAC name is 2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
PubChem CID111108944
Molecular FormulaC10H15FIN3O
Molecular Weight339.15 g/mol
Exact Mass339.02
IUPAC Name2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
SMILESCOCc1cc(CN=C(N)N)ccc1F.I
InChIInChI=1S/C10H14FN3O.HI/c1-15-6-8-4-7(2-3-9(8)11)5-14-10(12)13;/h2-4H,5-6H2,1H3,(H4,12,13,14);1H
InChIKeyRTQNZDQIYYMWDU-UHFFFAOYSA-N
XLogP1.36
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1,3-diethyl-2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111108952
2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111805056
2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-(3-methylbutyl)guanidine
CID 111805072
1-(3-ethoxypropyl)-2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111805029
2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111805064
2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111805047
1-tert-butyl-3-ethyl-2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]guanidine
CID 111547151
2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111805044
1-ethyl-2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473260
1-ethyl-2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-[2-(4-fluorophenyl)ethyl]guanidine;hydroiodide
CID 111782797
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111805061
1-benzyl-3-ethyl-2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]guanidine
CID 111546207

Frequently Asked Questions

What is the IUPAC name of 2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide?
The IUPAC name of 2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide (CID 111108944) is 2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide?
The canonical SMILES for 2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide is COCc1cc(CN=C(N)N)ccc1F.I.
What is the InChIKey of 2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide?
The InChIKey is RTQNZDQIYYMWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O.HI/c1-15-6-8-4-7(2-3-9(8)11)5-14-10(12)13;/h2-4H,5-6H2,1H3,(H4,12,13,14);1H.
What are the key properties of 2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide?
2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide has a molecular weight of 339.15 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 111108944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).