1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine

C17H20FN3 — CID 111035398

IUPAC1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine
SMILESCCc1cccc(N/C(N)=N/CCc2cccc(F)c2)c1
InChIInChI=1S/C17H20FN3/c1-2-13-5-4-8-16(12-13)21-17(19)20-10-9-14-6-3-7-15(18)11-14/h3-8,11-12H,2,9-10H2,1H3,(H3,19,20,21)
InChIKeyFSGFLSOCBJVCOS-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.36
Rot. Bonds5

About 1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine

1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine (PubChem CID 111035398) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine
PubChem CID111035398
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine
SMILESCCc1cccc(N/C(N)=N/CCc2cccc(F)c2)c1
InChIInChI=1S/C17H20FN3/c1-2-13-5-4-8-16(12-13)21-17(19)20-10-9-14-6-3-7-15(18)11-14/h3-8,11-12H,2,9-10H2,1H3,(H3,19,20,21)
InChIKeyFSGFLSOCBJVCOS-UHFFFAOYSA-N
XLogP3.36
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine
CID 111046944
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111089416
1-tert-butyl-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 62364401
2-[2-(3,5-difluorophenyl)ethyl]-1-(4-ethylphenyl)guanidine
CID 111090301
1-(3-ethylphenyl)-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111802087
1-(3-ethylphenyl)-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide
CID 111802467
1-(4-ethylphenyl)-2-[2-(3-hydroxyphenyl)ethyl]guanidine
CID 111089911
1-(3-ethylphenyl)-2-(2-thiophen-2-ylethyl)guanidine
CID 111030708
1-(3-ethylphenyl)-2-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide
CID 111031276
1-(3-ethylphenyl)-2-(3-methoxypropyl)guanidine
CID 111023612
2-[2-(3,5-difluorophenyl)ethyl]-1-(3-methoxyphenyl)guanidine
CID 111090273
1-(3-fluorophenyl)-2-(2-methylpropyl)guanidine
CID 62379621

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine?
The IUPAC name of 1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine (CID 111035398) is 1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine.
What is the SMILES notation for 1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine?
The canonical SMILES for 1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine is CCc1cccc(N/C(N)=N/CCc2cccc(F)c2)c1.
What is the InChIKey of 1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine?
The InChIKey is FSGFLSOCBJVCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c1-2-13-5-4-8-16(12-13)21-17(19)20-10-9-14-6-3-7-15(18)11-14/h3-8,11-12H,2,9-10H2,1H3,(H3,19,20,21).
What are the key properties of 1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine?
1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine has a molecular weight of 285.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine is sourced from PubChem (CID 111035398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).