1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide

C18H26IN3O2 — CID 111354881

IUPAC1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCc1ccco1)NCCc1cccc(OC)c1.I
InChIInChI=1S/C18H25N3O2.HI/c1-3-19-18(21-12-10-16-8-5-13-23-16)20-11-9-15-6-4-7-17(14-15)22-2;/h4-8,13-14H,3,9-12H2,1-2H3,(H2,19,20,21);1H
InChIKeyHEKJRPBGTXVEOW-UHFFFAOYSA-N
MW443.33 g/mol
LogP3.25
Rot. Bonds8

About 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide

1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide (PubChem CID 111354881) has the molecular formula C18H26IN3O2 and a molecular weight of 443.33 g/mol. Its IUPAC name is 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide
PubChem CID111354881
Molecular FormulaC18H26IN3O2
Molecular Weight443.33 g/mol
Exact Mass443.11
IUPAC Name1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCc1ccco1)NCCc1cccc(OC)c1.I
InChIInChI=1S/C18H25N3O2.HI/c1-3-19-18(21-12-10-16-8-5-13-23-16)20-11-9-15-6-4-7-17(14-15)22-2;/h4-8,13-14H,3,9-12H2,1-2H3,(H2,19,20,21);1H
InChIKeyHEKJRPBGTXVEOW-UHFFFAOYSA-N
XLogP3.25
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.33
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
CID 111353749
1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-2-(2-phenylethyl)guanidine
CID 111134069
1-ethyl-2-(furan-2-ylmethyl)-3-[3-(3-methoxyphenyl)propyl]guanidine
CID 110938582
1-[2-(furan-2-yl)ethyl]-3-[2-(3-methoxyphenyl)ethyl]-2-methylguanidine
CID 111355726
3-[2-[[N-ethyl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111632567
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine;hydroiodide
CID 111356537
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111250472
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111355639
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethyl-2-[2-(furan-2-yl)ethyl]guanidine
CID 111354784
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-[3-(3-methoxyphenyl)propyl]guanidine;hydroiodide
CID 111214760
1-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-2-propylguanidine
CID 111541292
1-[2-(furan-2-yl)ethyl]-2-[(3-methoxyphenyl)methyl]-3-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111250058

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide (CID 111354881) is 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide is CCN/C(=N\CCc1ccco1)NCCc1cccc(OC)c1.I.
What is the InChIKey of 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide?
The InChIKey is HEKJRPBGTXVEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.HI/c1-3-19-18(21-12-10-16-8-5-13-23-16)20-11-9-15-6-4-7-17(14-15)22-2;/h4-8,13-14H,3,9-12H2,1-2H3,(H2,19,20,21);1H.
What are the key properties of 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide?
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide has a molecular weight of 443.33 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111354881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).