2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-1,1-dimethylguanidine

C15H23N3O — CID 75423793

IUPAC2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-1,1-dimethylguanidine
SMILESCCN/C(=N/CCc1ccc2c(c1)CCO2)N(C)C
InChIInChI=1S/C15H23N3O/c1-4-16-15(18(2)3)17-9-7-12-5-6-14-13(11-12)8-10-19-14/h5-6,11H,4,7-10H2,1-3H3,(H,16,17)
InChIKeyZXBBQLDBCOTJBI-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.69
Rot. Bonds4

About 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-1,1-dimethylguanidine

2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-1,1-dimethylguanidine (PubChem CID 75423793) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-1,1-dimethylguanidine
PubChem CID75423793
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-1,1-dimethylguanidine
SMILESCCN/C(=N/CCc1ccc2c(c1)CCO2)N(C)C
InChIInChI=1S/C15H23N3O/c1-4-16-15(18(2)3)17-9-7-12-5-6-14-13(11-12)8-10-19-14/h5-6,11H,4,7-10H2,1-3H3,(H,16,17)
InChIKeyZXBBQLDBCOTJBI-UHFFFAOYSA-N
XLogP1.69
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
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-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 75423791
1-[5-(diethylamino)pentan-2-yl]-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethylguanidine
CID 111826753
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide
CID 111811277
N-[2-[[N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111562355
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine;hydroiodide
CID 111563323
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-ethylguanidine
CID 62363493
1-cyclopentyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]guanidine;hydroiodide
CID 119147599
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-2-[2-(2-fluorophenyl)ethyl]guanidine
CID 111563348
2-[2-(diethylamino)propyl]-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111563393
2-[2-(3,4-diethoxyphenyl)ethyl]-3-ethyl-1,1-dimethylguanidine
CID 111245699
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-2-[3-(2-methylpropoxy)propyl]guanidine
CID 111563760
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-ethyl-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine;hydroiodide
CID 109393165

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-1,1-dimethylguanidine?
The IUPAC name of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-1,1-dimethylguanidine (CID 75423793) is 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-1,1-dimethylguanidine.
What is the SMILES notation for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-1,1-dimethylguanidine?
The canonical SMILES for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-1,1-dimethylguanidine is CCN/C(=N/CCc1ccc2c(c1)CCO2)N(C)C.
What is the InChIKey of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-1,1-dimethylguanidine?
The InChIKey is ZXBBQLDBCOTJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-16-15(18(2)3)17-9-7-12-5-6-14-13(11-12)8-10-19-14/h5-6,11H,4,7-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-1,1-dimethylguanidine?
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-1,1-dimethylguanidine has a molecular weight of 261.37 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-1,1-dimethylguanidine is sourced from PubChem (CID 75423793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).