1-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide

C10H15FIN3O — CID 86777077

IUPAC1-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\N)NCc1ccc(OC)c(F)c1.I
InChIInChI=1S/C10H14FN3O.HI/c1-13-10(12)14-6-7-3-4-9(15-2)8(11)5-7;/h3-5H,6H2,1-2H3,(H3,12,13,14);1H
InChIKeyHLJZODDTTKDNKD-UHFFFAOYSA-N
MW339.15 g/mol
LogP1.49
Rot. Bonds3

About 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide

1-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide (PubChem CID 86777077) has the molecular formula C10H15FIN3O and a molecular weight of 339.15 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
PubChem CID86777077
Molecular FormulaC10H15FIN3O
Molecular Weight339.15 g/mol
Exact Mass339.02
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\N)NCc1ccc(OC)c(F)c1.I
InChIInChI=1S/C10H14FN3O.HI/c1-13-10(12)14-6-7-3-4-9(15-2)8(11)5-7;/h3-5H,6H2,1-2H3,(H3,12,13,14);1H
InChIKeyHLJZODDTTKDNKD-UHFFFAOYSA-N
XLogP1.49
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 51.49
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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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide (CID 86777077) is 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide is C/N=C(\N)NCc1ccc(OC)c(F)c1.I.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide?
The InChIKey is HLJZODDTTKDNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O.HI/c1-13-10(12)14-6-7-3-4-9(15-2)8(11)5-7;/h3-5H,6H2,1-2H3,(H3,12,13,14);1H.
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide?
1-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide has a molecular weight of 339.15 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 86777077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).