2-[1-(furan-2-yl)ethyl]-1-phenylguanidine

C13H15N3O — CID 55064252

IUPAC2-[1-(furan-2-yl)ethyl]-1-phenylguanidine
SMILESCC(/N=C(\N)Nc1ccccc1)c1ccco1
InChIInChI=1S/C13H15N3O/c1-10(12-8-5-9-17-12)15-13(14)16-11-6-3-2-4-7-11/h2-10H,1H3,(H3,14,15,16)
InChIKeyANFVCJUFQDQRJT-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.77
Rot. Bonds3

About 2-[1-(furan-2-yl)ethyl]-1-phenylguanidine

2-[1-(furan-2-yl)ethyl]-1-phenylguanidine (PubChem CID 55064252) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)ethyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[1-(furan-2-yl)ethyl]-1-phenylguanidine
PubChem CID55064252
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-[1-(furan-2-yl)ethyl]-1-phenylguanidine
SMILESCC(/N=C(\N)Nc1ccccc1)c1ccco1
InChIInChI=1S/C13H15N3O/c1-10(12-8-5-9-17-12)15-13(14)16-11-6-3-2-4-7-11/h2-10H,1H3,(H3,14,15,16)
InChIKeyANFVCJUFQDQRJT-UHFFFAOYSA-N
XLogP2.77
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.77
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

2-(4-methylpentan-2-yl)-1-phenylguanidine
CID 62362763
2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylguanidine
CID 110913966
2-[1-(2,4-dichlorophenyl)ethyl]-1-phenylguanidine
CID 62363836
1-phenyl-2-[1-(1H-pyrazol-4-yl)ethyl]guanidine
CID 114159092
1-phenyl-2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 114168040
1-(4-butan-2-ylphenyl)-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
CID 111058194
1-phenyl-2-(1-phenylpropyl)guanidine
CID 20811726
2-(1-methoxypropan-2-yl)-1-phenylguanidine
CID 62364056
1-[(1R)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473393
1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473392
2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111027585
2-(2-methyl-1-thiophen-2-ylpropyl)-1-phenylguanidine
CID 62368230

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)ethyl]-1-phenylguanidine?
The IUPAC name of 2-[1-(furan-2-yl)ethyl]-1-phenylguanidine (CID 55064252) is 2-[1-(furan-2-yl)ethyl]-1-phenylguanidine.
What is the SMILES notation for 2-[1-(furan-2-yl)ethyl]-1-phenylguanidine?
The canonical SMILES for 2-[1-(furan-2-yl)ethyl]-1-phenylguanidine is CC(/N=C(\N)Nc1ccccc1)c1ccco1.
What is the InChIKey of 2-[1-(furan-2-yl)ethyl]-1-phenylguanidine?
The InChIKey is ANFVCJUFQDQRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10(12-8-5-9-17-12)15-13(14)16-11-6-3-2-4-7-11/h2-10H,1H3,(H3,14,15,16).
What are the key properties of 2-[1-(furan-2-yl)ethyl]-1-phenylguanidine?
2-[1-(furan-2-yl)ethyl]-1-phenylguanidine has a molecular weight of 229.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-yl)ethyl]-1-phenylguanidine is sourced from PubChem (CID 55064252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).