3-amino-1-ethyl-1-(furan-2-ylmethyl)-2-phenylguanidine

C14H18N4O — CID 116514654

IUPAC3-amino-1-ethyl-1-(furan-2-ylmethyl)-2-phenylguanidine
SMILESCCN(Cc1ccco1)/C(=N/c1ccccc1)NN
InChIInChI=1S/C14H18N4O/c1-2-18(11-13-9-6-10-19-13)14(17-15)16-12-7-4-3-5-8-12/h3-10H,2,11,15H2,1H3,(H,16,17)
InChIKeyYAAVXEXUFKQKPN-UHFFFAOYSA-N
MW258.33 g/mol
LogP2.25
Rot. Bonds4

About 3-amino-1-ethyl-1-(furan-2-ylmethyl)-2-phenylguanidine

3-amino-1-ethyl-1-(furan-2-ylmethyl)-2-phenylguanidine (PubChem CID 116514654) has the molecular formula C14H18N4O and a molecular weight of 258.33 g/mol. Its IUPAC name is 3-amino-1-ethyl-1-(furan-2-ylmethyl)-2-phenylguanidine.

Molecular Properties

Compound Name3-amino-1-ethyl-1-(furan-2-ylmethyl)-2-phenylguanidine
PubChem CID116514654
Molecular FormulaC14H18N4O
Molecular Weight258.33 g/mol
Exact Mass258.15
IUPAC Name3-amino-1-ethyl-1-(furan-2-ylmethyl)-2-phenylguanidine
SMILESCCN(Cc1ccco1)/C(=N/c1ccccc1)NN
InChIInChI=1S/C14H18N4O/c1-2-18(11-13-9-6-10-19-13)14(17-15)16-12-7-4-3-5-8-12/h3-10H,2,11,15H2,1H3,(H,16,17)
InChIKeyYAAVXEXUFKQKPN-UHFFFAOYSA-N
XLogP2.25
TPSA66.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-ethyl-2-phenyl-1-(thiophen-2-ylmethyl)guanidine
CID 116514467
N-ethyl-N-(furan-2-ylmethyl)-2-hydroxy-2-methylpropanamide
CID 103429605
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61420879
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
N-ethyl-N-(furan-2-ylmethyl)ethanimidamide
CID 63172933
(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756107
3-amino-1-(furan-2-ylmethyl)-1-methyl-2-(2-methylpropyl)guanidine
CID 116513302
3-[[ethyl(furan-2-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61420829
3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266487
2-(2-aminophenoxy)-N-ethyl-N-(furan-2-ylmethyl)acetamide
CID 61110180
(2R)-2-amino-N-ethyl-N-(furan-2-ylmethyl)pentanamide
CID 107568950
1-ethyl-1-(furan-2-ylmethyl)-3-(2-methylpropyl)thiourea
CID 115580733

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-1-(furan-2-ylmethyl)-2-phenylguanidine?
The IUPAC name of 3-amino-1-ethyl-1-(furan-2-ylmethyl)-2-phenylguanidine (CID 116514654) is 3-amino-1-ethyl-1-(furan-2-ylmethyl)-2-phenylguanidine.
What is the SMILES notation for 3-amino-1-ethyl-1-(furan-2-ylmethyl)-2-phenylguanidine?
The canonical SMILES for 3-amino-1-ethyl-1-(furan-2-ylmethyl)-2-phenylguanidine is CCN(Cc1ccco1)/C(=N/c1ccccc1)NN.
What is the InChIKey of 3-amino-1-ethyl-1-(furan-2-ylmethyl)-2-phenylguanidine?
The InChIKey is YAAVXEXUFKQKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-18(11-13-9-6-10-19-13)14(17-15)16-12-7-4-3-5-8-12/h3-10H,2,11,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-1-ethyl-1-(furan-2-ylmethyl)-2-phenylguanidine?
3-amino-1-ethyl-1-(furan-2-ylmethyl)-2-phenylguanidine has a molecular weight of 258.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-1-(furan-2-ylmethyl)-2-phenylguanidine is sourced from PubChem (CID 116514654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).