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

C18H27F2N3O2 — CID 109494819

IUPAC2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine
SMILESCCCC1CC1N/C(=N/CC(O)c1ccc(OC(F)F)cc1)NCC
InChIInChI=1S/C18H27F2N3O2/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)
InChIKeyYDKNUPJXHSTVAY-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.07
Rot. Bonds9

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

2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine (PubChem CID 109494819) has the molecular formula C18H27F2N3O2 and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine.

Molecular Properties

Compound Name2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine
PubChem CID109494819
Molecular FormulaC18H27F2N3O2
Molecular Weight355.43 g/mol
Exact Mass355.21
IUPAC Name2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine
SMILESCCCC1CC1N/C(=N/CC(O)c1ccc(OC(F)F)cc1)NCC
InChIInChI=1S/C18H27F2N3O2/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)
InChIKeyYDKNUPJXHSTVAY-UHFFFAOYSA-N
XLogP3.07
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.07
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'}

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Related Compounds

2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine;hydroiodide
CID 109494818
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-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-(2-methylpropyl)guanidine
CID 109495047
2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]guanidine;hydroiodide
CID 109495172
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
1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-(2-ethylbutyl)guanidine
CID 109494947
1-(3-anilinopropyl)-2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethylguanidine;hydroiodide
CID 109495658
2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 109494981

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine?
The IUPAC name of 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine (CID 109494819) is 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine.
What is the SMILES notation for 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine?
The canonical SMILES for 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine is CCCC1CC1N/C(=N/CC(O)c1ccc(OC(F)F)cc1)NCC.
What is the InChIKey of 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine?
The InChIKey is YDKNUPJXHSTVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N3O2/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).
What are the key properties of 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine?
2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(2-propylcyclopropyl)guanidine has a molecular weight of 355.43 g/mol, XLogP of 3.07, 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 is sourced from PubChem (CID 109494819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).