2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide

C19H24IN3O — CID 111811277

IUPAC2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide
SMILESCCc1ccc(N/C(N)=N/CCc2ccc3c(c2)CCO3)cc1.I
InChIInChI=1S/C19H23N3O.HI/c1-2-14-3-6-17(7-4-14)22-19(20)21-11-9-15-5-8-18-16(13-15)10-12-23-18;/h3-8,13H,2,9-12H2,1H3,(H3,20,21,22);1H
InChIKeyHEXQFYRLEZLYDA-UHFFFAOYSA-N
MW437.33 g/mol
LogP3.77
Rot. Bonds5

About 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide

2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide (PubChem CID 111811277) has the molecular formula C19H24IN3O and a molecular weight of 437.33 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide
PubChem CID111811277
Molecular FormulaC19H24IN3O
Molecular Weight437.33 g/mol
Exact Mass437.10
IUPAC Name2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide
SMILESCCc1ccc(N/C(N)=N/CCc2ccc3c(c2)CCO3)cc1.I
InChIInChI=1S/C19H23N3O.HI/c1-2-14-3-6-17(7-4-14)22-19(20)21-11-9-15-5-8-18-16(13-15)10-12-23-18;/h3-8,13H,2,9-12H2,1H3,(H3,20,21,22);1H
InChIKeyHEXQFYRLEZLYDA-UHFFFAOYSA-N
XLogP3.77
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.33
LogP ≤ 53.77
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111811276
1-cyclopentyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]guanidine;hydroiodide
CID 119147599
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723
2-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111034162
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-1,1-dimethylguanidine
CID 75423793
2-[2-(3,5-difluorophenyl)ethyl]-1-(4-ethylphenyl)guanidine
CID 111090301
1-(4-ethylphenyl)-2-[2-(3-hydroxyphenyl)ethyl]guanidine
CID 111089911
2-[2-(1,3-benzodioxol-5-yl)ethyl]-1-phenylguanidine;hydroiodide
CID 110913853
2-[2-(1,3-benzodioxol-5-yl)ethyl]-1-phenylguanidine
CID 110913854
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-ethylguanidine
CID 62363493
N-[1-(4-ethylphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732589
N-[4-[[[[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-(ethylamino)methylidene]amino]methyl]phenyl]-2-methylpropanamide;hydroiodide
CID 111563113

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide (CID 111811277) is 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide is CCc1ccc(N/C(N)=N/CCc2ccc3c(c2)CCO3)cc1.I.
What is the InChIKey of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide?
The InChIKey is HEXQFYRLEZLYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.HI/c1-2-14-3-6-17(7-4-14)22-19(20)21-11-9-15-5-8-18-16(13-15)10-12-23-18;/h3-8,13H,2,9-12H2,1H3,(H3,20,21,22);1H.
What are the key properties of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide?
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide has a molecular weight of 437.33 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 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]-1-(4-ethylphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111811277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).