2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-phenylguanidine;hydroiodide

C14H15FIN3O — CID 111439321

IUPAC2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-phenylguanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccc(O)c(F)c1)Nc1ccccc1
InChIInChI=1S/C14H14FN3O.HI/c15-12-8-10(6-7-13(12)19)9-17-14(16)18-11-4-2-1-3-5-11;/h1-8,19H,9H2,(H3,16,17,18);1H
InChIKeyPQJDELPPKJEDNH-UHFFFAOYSA-N
MW387.20 g/mol
LogP3.08
Rot. Bonds3

About 2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-phenylguanidine;hydroiodide

2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-phenylguanidine;hydroiodide (PubChem CID 111439321) has the molecular formula C14H15FIN3O and a molecular weight of 387.20 g/mol. Its IUPAC name is 2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-phenylguanidine;hydroiodide
PubChem CID111439321
Molecular FormulaC14H15FIN3O
Molecular Weight387.20 g/mol
Exact Mass387.02
IUPAC Name2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-phenylguanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccc(O)c(F)c1)Nc1ccccc1
InChIInChI=1S/C14H14FN3O.HI/c15-12-8-10(6-7-13(12)19)9-17-14(16)18-11-4-2-1-3-5-11;/h1-8,19H,9H2,(H3,16,17,18);1H
InChIKeyPQJDELPPKJEDNH-UHFFFAOYSA-N
XLogP3.08
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.20
LogP ≤ 53.08
H-Bond Donors ≤ 53
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'}

Analyze 2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-phenylguanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dimethylphenyl)-2-[(3-fluoro-4-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 75424535
2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111817069
2-[(4-ethoxy-3-fluorophenyl)methyl]-1-phenylguanidine
CID 111105561
1-(2,6-diethylphenyl)-2-[(3-fluoro-4-hydroxyphenyl)methyl]guanidine
CID 111817018
2-benzyl-1-phenylguanidine
CID 12910062
1-phenyl-2-[2-(3,4,5-trifluorophenyl)ethyl]guanidine;hydroiodide
CID 110017725
1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide
CID 110912451
2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111817088
1-phenyl-2-(pyridin-4-ylmethyl)guanidine
CID 62364718
2-[(5-bromo-2-fluorophenyl)methyl]-1-phenylguanidine
CID 62370051
1-(4-ethylphenyl)-2-[(3-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111045959
2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-hexylguanidine
CID 111817114

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-phenylguanidine;hydroiodide (CID 111439321) is 2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-phenylguanidine;hydroiodide is I.N/C(=N\Cc1ccc(O)c(F)c1)Nc1ccccc1.
What is the InChIKey of 2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-phenylguanidine;hydroiodide?
The InChIKey is PQJDELPPKJEDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O.HI/c15-12-8-10(6-7-13(12)19)9-17-14(16)18-11-4-2-1-3-5-11;/h1-8,19H,9H2,(H3,16,17,18);1H.
What are the key properties of 2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-phenylguanidine;hydroiodide?
2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-phenylguanidine;hydroiodide has a molecular weight of 387.20 g/mol, XLogP of 3.08, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 111439321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).