1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine

C20H29N3O3 — CID 111544447

IUPAC1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccco1)NCC(C)(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H29N3O3/c1-6-21-19(22-13-16-8-7-11-26-16)23-14-20(2,3)15-9-10-17(24-4)18(12-15)25-5/h7-12H,6,13-14H2,1-5H3,(H2,21,22,23)
InChIKeyOGWGLOCJDJNPLB-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.33
Rot. Bonds8

About 1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine

1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine (PubChem CID 111544447) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
PubChem CID111544447
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccco1)NCC(C)(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H29N3O3/c1-6-21-19(22-13-16-8-7-11-26-16)23-14-20(2,3)15-9-10-17(24-4)18(12-15)25-5/h7-12H,6,13-14H2,1-5H3,(H2,21,22,23)
InChIKeyOGWGLOCJDJNPLB-UHFFFAOYSA-N
XLogP3.33
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.33
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'}

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Related Compounds

1-ethyl-3-[2-(3-fluorophenyl)-2-methylpropyl]-2-(furan-2-ylmethyl)guanidine
CID 111625564
1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-ethyl-2-[(3-methoxyphenyl)methyl]guanidine
CID 111837041
1-[3-(3,4-dimethoxyphenyl)propyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110937597
1-ethyl-2-(furan-2-ylmethyl)-3-(2-methyl-2-methylsulfanylpropyl)guanidine;hydroiodide
CID 111611589
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 110443382
1-[2-(2,5-dimethoxyphenyl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110937359
1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine
CID 110938014
1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2,3-dimethylguanidine;hydroiodide
CID 111105582
1-tert-butyl-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110965775
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[(3-methoxy-4-propoxyphenyl)methyl]guanidine
CID 111672998
1-ethyl-2-(furan-2-ylmethyl)-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 110937490
1-tert-butyl-2-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-ethylguanidine
CID 111547337

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine (CID 111544447) is 1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine is CCN/C(=N\Cc1ccco1)NCC(C)(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine?
The InChIKey is OGWGLOCJDJNPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-6-21-19(22-13-16-8-7-11-26-16)23-14-20(2,3)15-9-10-17(24-4)18(12-15)25-5/h7-12H,6,13-14H2,1-5H3,(H2,21,22,23).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine?
1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine has a molecular weight of 359.47 g/mol, XLogP of 3.33, 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)-2-methylpropyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine is sourced from PubChem (CID 111544447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).