1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-[3-(2-methoxyethoxy)propyl]guanidine

C19H32FN3O3 — CID 109475755

IUPAC1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-[3-(2-methoxyethoxy)propyl]guanidine
SMILESCCN/C(=N\CC(CC)Oc1cccc(F)c1)NCCCOCCOC
InChIInChI=1S/C19H32FN3O3/c1-4-17(26-18-9-6-8-16(20)14-18)15-23-19(21-5-2)22-10-7-11-25-13-12-24-3/h6,8-9,14,17H,4-5,7,10-13,15H2,1-3H3,(H2,21,22,23)
InChIKeyQTSNSMLVEUOJBB-UHFFFAOYSA-N
MW369.48 g/mol
LogP2.59
Rot. Bonds13

About 1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-[3-(2-methoxyethoxy)propyl]guanidine

1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-[3-(2-methoxyethoxy)propyl]guanidine (PubChem CID 109475755) has the molecular formula C19H32FN3O3 and a molecular weight of 369.48 g/mol. Its IUPAC name is 1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-[3-(2-methoxyethoxy)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-[3-(2-methoxyethoxy)propyl]guanidine
PubChem CID109475755
Molecular FormulaC19H32FN3O3
Molecular Weight369.48 g/mol
Exact Mass369.24
IUPAC Name1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-[3-(2-methoxyethoxy)propyl]guanidine
SMILESCCN/C(=N\CC(CC)Oc1cccc(F)c1)NCCCOCCOC
InChIInChI=1S/C19H32FN3O3/c1-4-17(26-18-9-6-8-16(20)14-18)15-23-19(21-5-2)22-10-7-11-25-13-12-24-3/h6,8-9,14,17H,4-5,7,10-13,15H2,1-3H3,(H2,21,22,23)
InChIKeyQTSNSMLVEUOJBB-UHFFFAOYSA-N
XLogP2.59
TPSA64.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-(2-methoxyethyl)guanidine
CID 109475869
methyl 5-[[N-ethyl-N'-[2-(3-fluorophenoxy)butyl]carbamimidoyl]amino]pentanoate;hydroiodide
CID 109476140
1-ethyl-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-[2-(3-fluorophenoxy)butyl]guanidine
CID 109475585
2-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 111406509
1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-(2-sulfamoylethyl)guanidine;hydroiodide
CID 109475920
2-[2-(2-chlorophenoxy)butyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 111969163
1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-(2-phenoxypropyl)guanidine
CID 111788822
1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]guanidine
CID 109476349
1-ethyl-3-(2-methoxyethyl)-2-(2-phenoxybutyl)guanidine;hydroiodide
CID 111560738
1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-[2-(methanesulfonamido)ethyl]guanidine;hydroiodide
CID 109475254
1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 109476156
1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 109475157

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-[3-(2-methoxyethoxy)propyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-[3-(2-methoxyethoxy)propyl]guanidine (CID 109475755) is 1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-[3-(2-methoxyethoxy)propyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-[3-(2-methoxyethoxy)propyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-[3-(2-methoxyethoxy)propyl]guanidine is CCN/C(=N\CC(CC)Oc1cccc(F)c1)NCCCOCCOC.
What is the InChIKey of 1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-[3-(2-methoxyethoxy)propyl]guanidine?
The InChIKey is QTSNSMLVEUOJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FN3O3/c1-4-17(26-18-9-6-8-16(20)14-18)15-23-19(21-5-2)22-10-7-11-25-13-12-24-3/h6,8-9,14,17H,4-5,7,10-13,15H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-[3-(2-methoxyethoxy)propyl]guanidine?
1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-[3-(2-methoxyethoxy)propyl]guanidine has a molecular weight of 369.48 g/mol, XLogP of 2.59, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-[3-(2-methoxyethoxy)propyl]guanidine is sourced from PubChem (CID 109475755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).