1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine

C20H27FN4O — CID 111362555

IUPAC1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccc(OC(C)C)nc1)NCCc1ccccc1F
InChIInChI=1S/C20H27FN4O/c1-4-22-20(23-12-11-17-7-5-6-8-18(17)21)25-14-16-9-10-19(24-13-16)26-15(2)3/h5-10,13,15H,4,11-12,14H2,1-3H3,(H2,22,23,25)
InChIKeyUKMROQZUSKVSGN-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.31
Rot. Bonds8

About 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine

1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine (PubChem CID 111362555) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
PubChem CID111362555
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC Name1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccc(OC(C)C)nc1)NCCc1ccccc1F
InChIInChI=1S/C20H27FN4O/c1-4-22-20(23-12-11-17-7-5-6-8-18(17)21)25-14-16-9-10-19(24-13-16)26-15(2)3/h5-10,13,15H,4,11-12,14H2,1-3H3,(H2,22,23,25)
InChIKeyUKMROQZUSKVSGN-UHFFFAOYSA-N
XLogP3.31
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.31
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-[(2-fluorophenyl)methyl]-2-[(6-methoxy-3-pyridinyl)methyl]guanidine
CID 111265103
2-benzyl-1-ethyl-3-[2-(2-fluorophenyl)ethyl]guanidine
CID 110954236
2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-ethyl-3-[2-(2-fluorophenyl)ethyl]guanidine
CID 111362537
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111363020
1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 109411080
1-cyclopropyl-3-ethyl-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
CID 110988306
2-[(4-cyanophenyl)methyl]-1-ethyl-3-[2-(2-fluorophenyl)ethyl]guanidine
CID 111363065
1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111882608
N-ethyl-4-[[[ethylamino-[2-(2-fluorophenyl)ethylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111363002
1-(2,2-diethyl-4-hydroxybutyl)-3-ethyl-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
CID 111716088
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 109493605
2-[[N-ethyl-N'-[(6-propan-2-yloxy-3-pyridinyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365528

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine (CID 111362555) is 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine is CCN/C(=N\Cc1ccc(OC(C)C)nc1)NCCc1ccccc1F.
What is the InChIKey of 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine?
The InChIKey is UKMROQZUSKVSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O/c1-4-22-20(23-12-11-17-7-5-6-8-18(17)21)25-14-16-9-10-19(24-13-16)26-15(2)3/h5-10,13,15H,4,11-12,14H2,1-3H3,(H2,22,23,25).
What are the key properties of 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine?
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine has a molecular weight of 358.46 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111362555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).