1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylguanidine;hydroiodide

C20H30IN3O3 — CID 111580490

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\Cc1cc(C)oc1C)NCCc1ccc(OC)c(OC)c1.I
InChIInChI=1S/C20H29N3O3.HI/c1-6-21-20(23-13-17-11-14(2)26-15(17)3)22-10-9-16-7-8-18(24-4)19(12-16)25-5;/h7-8,11-12H,6,9-10,13H2,1-5H3,(H2,21,22,23);1H
InChIKeyNTFXVAVUTZYRHR-UHFFFAOYSA-N
MW487.38 g/mol
LogP3.83
Rot. Bonds8

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylguanidine;hydroiodide

1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylguanidine;hydroiodide (PubChem CID 111580490) has the molecular formula C20H30IN3O3 and a molecular weight of 487.38 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylguanidine;hydroiodide
PubChem CID111580490
Molecular FormulaC20H30IN3O3
Molecular Weight487.38 g/mol
Exact Mass487.13
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\Cc1cc(C)oc1C)NCCc1ccc(OC)c(OC)c1.I
InChIInChI=1S/C20H29N3O3.HI/c1-6-21-20(23-13-17-11-14(2)26-15(17)3)22-10-9-16-7-8-18(24-4)19(12-16)25-5;/h7-8,11-12H,6,9-10,13H2,1-5H3,(H2,21,22,23);1H
InChIKeyNTFXVAVUTZYRHR-UHFFFAOYSA-N
XLogP3.83
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.38
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylguanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-[(4-methoxy-3-methylphenyl)methyl]guanidine
CID 111213165
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111214956
2-benzyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 110953561
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine;hydroiodide
CID 111213336
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylguanidine;hydroiodide
CID 111214280
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]guanidine
CID 111213393
2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134612
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-ethylguanidine
CID 111213941
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(3,4-dimethoxyphenyl)propyl]-3-ethylguanidine
CID 111213781
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111170026
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111214666
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine
CID 111214629

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylguanidine;hydroiodide?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylguanidine;hydroiodide (CID 111580490) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylguanidine;hydroiodide is CCN/C(=N\Cc1cc(C)oc1C)NCCc1ccc(OC)c(OC)c1.I.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylguanidine;hydroiodide?
The InChIKey is NTFXVAVUTZYRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3.HI/c1-6-21-20(23-13-17-11-14(2)26-15(17)3)22-10-9-16-7-8-18(24-4)19(12-16)25-5;/h7-8,11-12H,6,9-10,13H2,1-5H3,(H2,21,22,23);1H.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylguanidine;hydroiodide?
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylguanidine;hydroiodide has a molecular weight of 487.38 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethylfuran-3-yl)methyl]-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 111580490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).