1-cyclopropyl-2-[2-(3,4-difluorophenyl)propyl]-3-ethylguanidine;hydroiodide

C15H22F2IN3 — CID 111495571

IUPAC1-cyclopropyl-2-[2-(3,4-difluorophenyl)propyl]-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CC(C)c1ccc(F)c(F)c1)NC1CC1.I
InChIInChI=1S/C15H21F2N3.HI/c1-3-18-15(20-12-5-6-12)19-9-10(2)11-4-7-13(16)14(17)8-11;/h4,7-8,10,12H,3,5-6,9H2,1-2H3,(H2,18,19,20);1H
InChIKeyVIWUJMNAXJZAGC-UHFFFAOYSA-N
MW409.26 g/mol
LogP3.40
Rot. Bonds5

About 1-cyclopropyl-2-[2-(3,4-difluorophenyl)propyl]-3-ethylguanidine;hydroiodide

1-cyclopropyl-2-[2-(3,4-difluorophenyl)propyl]-3-ethylguanidine;hydroiodide (PubChem CID 111495571) has the molecular formula C15H22F2IN3 and a molecular weight of 409.26 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-(3,4-difluorophenyl)propyl]-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-(3,4-difluorophenyl)propyl]-3-ethylguanidine;hydroiodide
PubChem CID111495571
Molecular FormulaC15H22F2IN3
Molecular Weight409.26 g/mol
Exact Mass409.08
IUPAC Name1-cyclopropyl-2-[2-(3,4-difluorophenyl)propyl]-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CC(C)c1ccc(F)c(F)c1)NC1CC1.I
InChIInChI=1S/C15H21F2N3.HI/c1-3-18-15(20-12-5-6-12)19-9-10(2)11-4-7-13(16)14(17)8-11;/h4,7-8,10,12H,3,5-6,9H2,1-2H3,(H2,18,19,20);1H
InChIKeyVIWUJMNAXJZAGC-UHFFFAOYSA-N
XLogP3.40
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.26
LogP ≤ 53.40
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-cyclopropyl-2-[2-(3,4-difluorophenyl)propyl]-3-ethylguanidine;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-cyclopropyl-2-[2-(2,4-difluorophenyl)propyl]-3-ethylguanidine;hydroiodide
CID 111759446
2-[2-(3,4-difluorophenyl)propyl]-1-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 75424225
2-[2-(2,4-difluorophenyl)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111979564
N'-[2-(3,4-difluorophenyl)propyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide
CID 111500954
1-cyclopropyl-2-(2,2-diphenylethyl)-3-ethylguanidine;hydroiodide
CID 110989018
1-cyclopropyl-2-[2-(3,4-difluorophenoxy)ethyl]-3-ethylguanidine;hydroiodide
CID 111548994
1-ethyl-2-[2-(3-methylphenyl)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111774895
1-cyclopropyl-3-ethyl-2-[2-hydroxy-2-(4-methylphenyl)ethyl]guanidine;hydroiodide
CID 110988948
2-[2-(3,4-difluorophenyl)propyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111500304
1-cyclopropyl-2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 110989416
2-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-ethyl-3-[4-(trifluoromethyl)cyclohexyl]guanidine
CID 111989979
1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111979338

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[2-(3,4-difluorophenyl)propyl]-3-ethylguanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[2-(3,4-difluorophenyl)propyl]-3-ethylguanidine;hydroiodide (CID 111495571) is 1-cyclopropyl-2-[2-(3,4-difluorophenyl)propyl]-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[2-(3,4-difluorophenyl)propyl]-3-ethylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[2-(3,4-difluorophenyl)propyl]-3-ethylguanidine;hydroiodide is CCN/C(=N\CC(C)c1ccc(F)c(F)c1)NC1CC1.I.
What is the InChIKey of 1-cyclopropyl-2-[2-(3,4-difluorophenyl)propyl]-3-ethylguanidine;hydroiodide?
The InChIKey is VIWUJMNAXJZAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3.HI/c1-3-18-15(20-12-5-6-12)19-9-10(2)11-4-7-13(16)14(17)8-11;/h4,7-8,10,12H,3,5-6,9H2,1-2H3,(H2,18,19,20);1H.
What are the key properties of 1-cyclopropyl-2-[2-(3,4-difluorophenyl)propyl]-3-ethylguanidine;hydroiodide?
1-cyclopropyl-2-[2-(3,4-difluorophenyl)propyl]-3-ethylguanidine;hydroiodide has a molecular weight of 409.26 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-(3,4-difluorophenyl)propyl]-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 111495571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).