2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine;hydroiodide

C18H28F2IN3O2 — CID 109494818

IUPAC2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine;hydroiodide
SMILESCCCC1CC1N/C(=N/CC(O)c1ccc(OC(F)F)cc1)NCC.I
InChIInChI=1S/C18H27F2N3O2.HI/c1-3-5-13-10-15(13)23-18(21-4-2)22-11-16(24)12-6-8-14(9-7-12)25-17(19)20;/h6-9,13,15-17,24H,3-5,10-11H2,1-2H3,(H2,21,22,23);1H
InChIKeyGGOJQDJVDNGGBM-UHFFFAOYSA-N
MW483.34 g/mol
LogP3.68
Rot. Bonds9

About 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine;hydroiodide

2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine;hydroiodide (PubChem CID 109494818) has the molecular formula C18H28F2IN3O2 and a molecular weight of 483.34 g/mol. Its IUPAC name is 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine;hydroiodide
PubChem CID109494818
Molecular FormulaC18H28F2IN3O2
Molecular Weight483.34 g/mol
Exact Mass483.12
IUPAC Name2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine;hydroiodide
SMILESCCCC1CC1N/C(=N/CC(O)c1ccc(OC(F)F)cc1)NCC.I
InChIInChI=1S/C18H27F2N3O2.HI/c1-3-5-13-10-15(13)23-18(21-4-2)22-11-16(24)12-6-8-14(9-7-12)25-17(19)20;/h6-9,13,15-17,24H,3-5,10-11H2,1-2H3,(H2,21,22,23);1H
InChIKeyGGOJQDJVDNGGBM-UHFFFAOYSA-N
XLogP3.68
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.34
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine;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

2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine
CID 109494819
2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]guanidine;hydroiodide
CID 109495172
1-[2-(cyclopropylmethoxy)ethyl]-2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethylguanidine
CID 109494965
2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(4-methylpentyl)guanidine
CID 109494657
2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-(3-ethoxypropyl)-3-ethylguanidine
CID 109495533
1-(3-anilinopropyl)-2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethylguanidine;hydroiodide
CID 109495658
1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-(2-methylpropyl)guanidine
CID 109495047
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethylguanidine
CID 109495559
1-[3-(diethylamino)propyl]-2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethylguanidine
CID 109494877
2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(3-pyrrolidin-1-ylpropyl)guanidine
CID 109494729
2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-[4-(4-ethylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 109495510
2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide
CID 109495620

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine;hydroiodide (CID 109494818) is 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine;hydroiodide is CCCC1CC1N/C(=N/CC(O)c1ccc(OC(F)F)cc1)NCC.I.
What is the InChIKey of 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine;hydroiodide?
The InChIKey is GGOJQDJVDNGGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N3O2.HI/c1-3-5-13-10-15(13)23-18(21-4-2)22-11-16(24)12-6-8-14(9-7-12)25-17(19)20;/h6-9,13,15-17,24H,3-5,10-11H2,1-2H3,(H2,21,22,23);1H.
What are the key properties of 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine;hydroiodide?
2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine;hydroiodide has a molecular weight of 483.34 g/mol, XLogP of 3.68, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine;hydroiodide is sourced from PubChem (CID 109494818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).