1-[2-(2,5-difluorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide

C11H16F2IN3 — CID 111573047

IUPAC1-[2-(2,5-difluorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NCCc1cc(F)ccc1F.I
InChIInChI=1S/C11H15F2N3.HI/c1-14-11(15-2)16-6-5-8-7-9(12)3-4-10(8)13;/h3-4,7H,5-6H2,1-2H3,(H2,14,15,16);1H
InChIKeyGOLHHIYSPYBHFM-UHFFFAOYSA-N
MW355.17 g/mol
LogP1.92
Rot. Bonds3

About 1-[2-(2,5-difluorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide

1-[2-(2,5-difluorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide (PubChem CID 111573047) has the molecular formula C11H16F2IN3 and a molecular weight of 355.17 g/mol. Its IUPAC name is 1-[2-(2,5-difluorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(2,5-difluorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide
PubChem CID111573047
Molecular FormulaC11H16F2IN3
Molecular Weight355.17 g/mol
Exact Mass355.04
IUPAC Name1-[2-(2,5-difluorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NCCc1cc(F)ccc1F.I
InChIInChI=1S/C11H15F2N3.HI/c1-14-11(15-2)16-6-5-8-7-9(12)3-4-10(8)13;/h3-4,7H,5-6H2,1-2H3,(H2,14,15,16);1H
InChIKeyGOLHHIYSPYBHFM-UHFFFAOYSA-N
XLogP1.92
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.17
LogP ≤ 51.92
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-[2-(2,5-difluorophenyl)ethyl]-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-[2-(2,5-difluorophenyl)ethyl]-2-methyl-3-pentylguanidine
CID 111965479
1-[2-(2,5-difluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111573049
1-[2-(2-fluorophenyl)ethyl]-2,3-dimethylguanidine
CID 110914261
1-[2-(2,5-difluorophenyl)ethyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine;hydroiodide
CID 109409114
1-[2-(2,5-difluorophenyl)ethyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111965692
1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111780718
1-[3-(cyclopropylmethoxy)propyl]-3-[2-(2,5-difluorophenyl)ethyl]-2-methylguanidine
CID 111965827
N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 71113752
1-[2-(2,5-difluorophenyl)ethyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111965491
1-[2-(2,5-difluorophenyl)ethyl]-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylguanidine
CID 111965653
1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide
CID 110914009
1-[2-(2,5-difluorophenyl)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine;hydroiodide
CID 109461043

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-difluorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide?
The IUPAC name of 1-[2-(2,5-difluorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide (CID 111573047) is 1-[2-(2,5-difluorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(2,5-difluorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(2,5-difluorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide is C/N=C(\NC)NCCc1cc(F)ccc1F.I.
What is the InChIKey of 1-[2-(2,5-difluorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide?
The InChIKey is GOLHHIYSPYBHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3.HI/c1-14-11(15-2)16-6-5-8-7-9(12)3-4-10(8)13;/h3-4,7H,5-6H2,1-2H3,(H2,14,15,16);1H.
What are the key properties of 1-[2-(2,5-difluorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide?
1-[2-(2,5-difluorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide has a molecular weight of 355.17 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-difluorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide is sourced from PubChem (CID 111573047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).