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

C16H24FN3O — CID 111681364

IUPAC1-ethyl-2-[2-(3-fluorophenoxy)propyl]-3-(2-methylcyclopropyl)guanidine
SMILESCCN/C(=N\CC(C)Oc1cccc(F)c1)NC1CC1C
InChIInChI=1S/C16H24FN3O/c1-4-18-16(20-15-8-11(15)2)19-10-12(3)21-14-7-5-6-13(17)9-14/h5-7,9,11-12,15H,4,8,10H2,1-3H3,(H2,18,19,20)
InChIKeyNWKCAQDMEYXGPK-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.56
Rot. Bonds6

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

1-ethyl-2-[2-(3-fluorophenoxy)propyl]-3-(2-methylcyclopropyl)guanidine (PubChem CID 111681364) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-ethyl-2-[2-(3-fluorophenoxy)propyl]-3-(2-methylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(3-fluorophenoxy)propyl]-3-(2-methylcyclopropyl)guanidine
PubChem CID111681364
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name1-ethyl-2-[2-(3-fluorophenoxy)propyl]-3-(2-methylcyclopropyl)guanidine
SMILESCCN/C(=N\CC(C)Oc1cccc(F)c1)NC1CC1C
InChIInChI=1S/C16H24FN3O/c1-4-18-16(20-15-8-11(15)2)19-10-12(3)21-14-7-5-6-13(17)9-14/h5-7,9,11-12,15H,4,8,10H2,1-3H3,(H2,18,19,20)
InChIKeyNWKCAQDMEYXGPK-UHFFFAOYSA-N
XLogP2.56
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-ethyl-2-[2-(3-fluorophenoxy)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111503283
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[2-(3-fluorophenoxy)propyl]guanidine
CID 109439771
1-ethyl-2-[2-(3-fluorophenoxy)propyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111681949
1-ethyl-2-[2-(3-fluorophenoxy)propyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111503332
methyl 5-[[N-ethyl-N'-[2-(3-fluorophenoxy)propyl]carbamimidoyl]amino]pentanoate;hydroiodide
CID 111681855
ethyl 4-[[N-ethyl-N'-[2-(3-fluorophenoxy)propyl]carbamimidoyl]amino]butanoate;hydroiodide
CID 111681853
1-ethyl-2-[2-(3-fluorophenoxy)propyl]-3-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111681991
1-ethyl-2-[2-(3-fluorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111503041
1-ethyl-2-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(2-methylcyclopropyl)guanidine
CID 111638864
1-ethyl-3-[3-(ethylsulfonylamino)propyl]-2-[2-(3-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111681227
1-ethyl-3-[(1-ethylpiperidin-3-yl)methyl]-2-[2-(3-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111681721
1-cyclopropyl-3-ethyl-2-(2-phenoxypropyl)guanidine;hydroiodide
CID 111549082

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(3-fluorophenoxy)propyl]-3-(2-methylcyclopropyl)guanidine?
The IUPAC name of 1-ethyl-2-[2-(3-fluorophenoxy)propyl]-3-(2-methylcyclopropyl)guanidine (CID 111681364) is 1-ethyl-2-[2-(3-fluorophenoxy)propyl]-3-(2-methylcyclopropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(3-fluorophenoxy)propyl]-3-(2-methylcyclopropyl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-(3-fluorophenoxy)propyl]-3-(2-methylcyclopropyl)guanidine is CCN/C(=N\CC(C)Oc1cccc(F)c1)NC1CC1C.
What is the InChIKey of 1-ethyl-2-[2-(3-fluorophenoxy)propyl]-3-(2-methylcyclopropyl)guanidine?
The InChIKey is NWKCAQDMEYXGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-4-18-16(20-15-8-11(15)2)19-10-12(3)21-14-7-5-6-13(17)9-14/h5-7,9,11-12,15H,4,8,10H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-ethyl-2-[2-(3-fluorophenoxy)propyl]-3-(2-methylcyclopropyl)guanidine?
1-ethyl-2-[2-(3-fluorophenoxy)propyl]-3-(2-methylcyclopropyl)guanidine has a molecular weight of 293.39 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(3-fluorophenoxy)propyl]-3-(2-methylcyclopropyl)guanidine is sourced from PubChem (CID 111681364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).