1-ethyl-3-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(furan-2-ylmethyl)guanidine

C17H22FN3O2 — CID 111544295

IUPAC1-ethyl-3-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(furan-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccco1)NCC(OC)c1ccc(F)cc1
InChIInChI=1S/C17H22FN3O2/c1-3-19-17(20-11-15-5-4-10-23-15)21-12-16(22-2)13-6-8-14(18)9-7-13/h4-10,16H,3,11-12H2,1-2H3,(H2,19,20,21)
InChIKeyNDOFTEXQZSQZBS-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.86
Rot. Bonds7

About 1-ethyl-3-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(furan-2-ylmethyl)guanidine

1-ethyl-3-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(furan-2-ylmethyl)guanidine (PubChem CID 111544295) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-ethyl-3-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(furan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(furan-2-ylmethyl)guanidine
PubChem CID111544295
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name1-ethyl-3-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(furan-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccco1)NCC(OC)c1ccc(F)cc1
InChIInChI=1S/C17H22FN3O2/c1-3-19-17(20-11-15-5-4-10-23-15)21-12-16(22-2)13-6-8-14(18)9-7-13/h4-10,16H,3,11-12H2,1-2H3,(H2,19,20,21)
InChIKeyNDOFTEXQZSQZBS-UHFFFAOYSA-N
XLogP2.86
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
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

1-ethyl-3-[3-(4-fluorophenyl)sulfanylpropyl]-2-(furan-2-ylmethyl)guanidine
CID 110937924
1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 110938328
2-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-[2-(4-fluorophenyl)-2-methoxyethyl]guanidine;hydroiodide
CID 111713835
1-ethyl-2-[(3-fluorophenyl)methyl]-3-(2-methoxy-2-phenylethyl)guanidine
CID 111875811
1-ethyl-3-[2-(furan-2-yl)-2-hydroxyethyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110937529
1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine
CID 110938014
1-ethyl-2-(furan-2-ylmethyl)-3-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine;hydroiodide
CID 110937943
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 110938324
1-ethyl-2-(furan-2-ylmethyl)-3-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]guanidine;hydroiodide
CID 109494302
1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(furan-2-ylmethyl)guanidine
CID 111968007
1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 116511394
1-ethyl-2-(furan-2-ylmethyl)-3-propan-2-ylguanidine;hydroiodide
CID 111126807

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(furan-2-ylmethyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(furan-2-ylmethyl)guanidine (CID 111544295) is 1-ethyl-3-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(furan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(furan-2-ylmethyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(furan-2-ylmethyl)guanidine is CCN/C(=N\Cc1ccco1)NCC(OC)c1ccc(F)cc1.
What is the InChIKey of 1-ethyl-3-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(furan-2-ylmethyl)guanidine?
The InChIKey is NDOFTEXQZSQZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-3-19-17(20-11-15-5-4-10-23-15)21-12-16(22-2)13-6-8-14(18)9-7-13/h4-10,16H,3,11-12H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-ethyl-3-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(furan-2-ylmethyl)guanidine?
1-ethyl-3-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(furan-2-ylmethyl)guanidine has a molecular weight of 319.38 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(4-fluorophenyl)-2-methoxyethyl]-2-(furan-2-ylmethyl)guanidine is sourced from PubChem (CID 111544295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).