1-(4-ethylphenyl)-2-[2-(furan-2-yl)ethyl]guanidine

C15H19N3O — CID 111031068

IUPAC1-(4-ethylphenyl)-2-[2-(furan-2-yl)ethyl]guanidine
SMILESCCc1ccc(N/C(N)=N/CCc2ccco2)cc1
InChIInChI=1S/C15H19N3O/c1-2-12-5-7-13(8-6-12)18-15(16)17-10-9-14-4-3-11-19-14/h3-8,11H,2,9-10H2,1H3,(H3,16,17,18)
InChIKeyFXWXPKZMLVIKIY-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.81
Rot. Bonds5

About 1-(4-ethylphenyl)-2-[2-(furan-2-yl)ethyl]guanidine

1-(4-ethylphenyl)-2-[2-(furan-2-yl)ethyl]guanidine (PubChem CID 111031068) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[2-(furan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[2-(furan-2-yl)ethyl]guanidine
PubChem CID111031068
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(4-ethylphenyl)-2-[2-(furan-2-yl)ethyl]guanidine
SMILESCCc1ccc(N/C(N)=N/CCc2ccco2)cc1
InChIInChI=1S/C15H19N3O/c1-2-12-5-7-13(8-6-12)18-15(16)17-10-9-14-4-3-11-19-14/h3-8,11H,2,9-10H2,1H3,(H3,16,17,18)
InChIKeyFXWXPKZMLVIKIY-UHFFFAOYSA-N
XLogP2.81
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.81
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

N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042802
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723
2-[2-(3,5-difluorophenyl)ethyl]-1-(4-ethylphenyl)guanidine
CID 111090301
1-(4-ethylphenyl)-2-[2-(3-hydroxyphenyl)ethyl]guanidine
CID 111089911
1-(4-ethylphenyl)-2-(2-pyridin-2-ylethyl)guanidine
CID 111024696
1-(4-ethylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 111091208
1-(4-ethylphenyl)-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
CID 111028634
1-(4-ethylphenyl)-2-(2-phenylsulfanylethyl)guanidine
CID 111033070
1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111024620
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide
CID 111811277
1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine
CID 110913806
N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 43395380

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[2-(furan-2-yl)ethyl]guanidine?
The IUPAC name of 1-(4-ethylphenyl)-2-[2-(furan-2-yl)ethyl]guanidine (CID 111031068) is 1-(4-ethylphenyl)-2-[2-(furan-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[2-(furan-2-yl)ethyl]guanidine?
The canonical SMILES for 1-(4-ethylphenyl)-2-[2-(furan-2-yl)ethyl]guanidine is CCc1ccc(N/C(N)=N/CCc2ccco2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[2-(furan-2-yl)ethyl]guanidine?
The InChIKey is FXWXPKZMLVIKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-12-5-7-13(8-6-12)18-15(16)17-10-9-14-4-3-11-19-14/h3-8,11H,2,9-10H2,1H3,(H3,16,17,18).
What are the key properties of 1-(4-ethylphenyl)-2-[2-(furan-2-yl)ethyl]guanidine?
1-(4-ethylphenyl)-2-[2-(furan-2-yl)ethyl]guanidine has a molecular weight of 257.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[2-(furan-2-yl)ethyl]guanidine is sourced from PubChem (CID 111031068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).