1-[(4-fluoro-3-methylphenyl)methyl]-2,3-dimethylguanidine;hydroiodide

C11H17FIN3 — CID 110893194

IUPAC1-[(4-fluoro-3-methylphenyl)methyl]-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NCc1ccc(F)c(C)c1.I
InChIInChI=1S/C11H16FN3.HI/c1-8-6-9(4-5-10(8)12)7-15-11(13-2)14-3;/h4-6H,7H2,1-3H3,(H2,13,14,15);1H
InChIKeyDZIPOIRMZKJCNI-UHFFFAOYSA-N
MW337.18 g/mol
LogP2.05
Rot. Bonds2

About 1-[(4-fluoro-3-methylphenyl)methyl]-2,3-dimethylguanidine;hydroiodide

1-[(4-fluoro-3-methylphenyl)methyl]-2,3-dimethylguanidine;hydroiodide (PubChem CID 110893194) has the molecular formula C11H17FIN3 and a molecular weight of 337.18 g/mol. Its IUPAC name is 1-[(4-fluoro-3-methylphenyl)methyl]-2,3-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[(4-fluoro-3-methylphenyl)methyl]-2,3-dimethylguanidine;hydroiodide
PubChem CID110893194
Molecular FormulaC11H17FIN3
Molecular Weight337.18 g/mol
Exact Mass337.05
IUPAC Name1-[(4-fluoro-3-methylphenyl)methyl]-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NCc1ccc(F)c(C)c1.I
InChIInChI=1S/C11H16FN3.HI/c1-8-6-9(4-5-10(8)12)7-15-11(13-2)14-3;/h4-6H,7H2,1-3H3,(H2,13,14,15);1H
InChIKeyDZIPOIRMZKJCNI-UHFFFAOYSA-N
XLogP2.05
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 1-[(4-fluoro-3-methylphenyl)methyl]-2,3-dimethylguanidine;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-[(4-fluoro-3-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111232004
1-ethyl-3-[(4-fluoro-3-methylphenyl)methyl]-2-methylguanidine
CID 111853632
1-tert-butyl-3-[(4-fluoro-3-methylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110967053
1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111226644
1-butyl-3-[(4-fluoro-3-methylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111151501
1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111002673
1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[(4-nitrophenyl)methyl]guanidine;hydroiodide
CID 111853517
4-[[[N-[(4-fluoro-3-methylphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111853006
1-[2-(diethylamino)propyl]-3-[(4-fluoro-3-methylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111853761
1-[(6-chloro-3-pyridinyl)methyl]-3-[(4-fluoro-3-methylphenyl)methyl]-2-methylguanidine
CID 111853682
1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111258511
1-[(4-fluoro-3-methylphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine
CID 111250125

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-3-methylphenyl)methyl]-2,3-dimethylguanidine;hydroiodide?
The IUPAC name of 1-[(4-fluoro-3-methylphenyl)methyl]-2,3-dimethylguanidine;hydroiodide (CID 110893194) is 1-[(4-fluoro-3-methylphenyl)methyl]-2,3-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-[(4-fluoro-3-methylphenyl)methyl]-2,3-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-[(4-fluoro-3-methylphenyl)methyl]-2,3-dimethylguanidine;hydroiodide is C/N=C(\NC)NCc1ccc(F)c(C)c1.I.
What is the InChIKey of 1-[(4-fluoro-3-methylphenyl)methyl]-2,3-dimethylguanidine;hydroiodide?
The InChIKey is DZIPOIRMZKJCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3.HI/c1-8-6-9(4-5-10(8)12)7-15-11(13-2)14-3;/h4-6H,7H2,1-3H3,(H2,13,14,15);1H.
What are the key properties of 1-[(4-fluoro-3-methylphenyl)methyl]-2,3-dimethylguanidine;hydroiodide?
1-[(4-fluoro-3-methylphenyl)methyl]-2,3-dimethylguanidine;hydroiodide has a molecular weight of 337.18 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-3-methylphenyl)methyl]-2,3-dimethylguanidine;hydroiodide is sourced from PubChem (CID 110893194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).