2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine

C20H26ClN3O3 — CID 111176378

IUPAC2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine
SMILESCCN/C(=N\Cc1cccc(Cl)c1)NCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C20H26ClN3O3/c1-5-22-20(23-12-14-7-6-8-16(21)9-14)24-13-15-10-18(26-3)19(27-4)11-17(15)25-2/h6-11H,5,12-13H2,1-4H3,(H2,22,23,24)
InChIKeyFQQGTLSPPQKGKQ-UHFFFAOYSA-N
MW391.90 g/mol
LogP3.62
Rot. Bonds8

About 2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine

2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine (PubChem CID 111176378) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine
PubChem CID111176378
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC Name2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine
SMILESCCN/C(=N\Cc1cccc(Cl)c1)NCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C20H26ClN3O3/c1-5-22-20(23-12-14-7-6-8-16(21)9-14)24-13-15-10-18(26-3)19(27-4)11-17(15)25-2/h6-11H,5,12-13H2,1-4H3,(H2,22,23,24)
InChIKeyFQQGTLSPPQKGKQ-UHFFFAOYSA-N
XLogP3.62
TPSA64.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 53.62
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'}

Analyze 2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine 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

2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(2-methoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111176633
2-[(3-chlorophenyl)methyl]-1-ethyl-3-[[4-(methoxymethyl)phenyl]methyl]guanidine
CID 111176640
1-ethyl-3-[(2-methoxyphenyl)methyl]-2-[(2,4,5-trimethoxyphenyl)methyl]guanidine
CID 111217533
1-ethyl-2-[[3-(methoxymethyl)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111216704
2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(4-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111176022
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(3,4-dimethoxyphenyl)methyl]-3-ethylguanidine;hydroiodide
CID 111612408
1-[(2,3-dimethoxyphenyl)methyl]-3-ethyl-2-[(3-methoxyphenyl)methyl]guanidine
CID 111249341
1-benzyl-2-[(3,4-dimethoxyphenyl)methyl]-3-ethylguanidine;hydroiodide
CID 110953555
1-[(2,3-dimethoxyphenyl)methyl]-3-ethyl-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111900912
1-[(2-chlorophenyl)methyl]-3-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methyl]guanidine
CID 111174187
1-[(2,4-dimethoxyphenyl)methyl]-2-[(3-ethoxyphenyl)methyl]-3-ethylguanidine;hydroiodide
CID 111878964
2-[(3-chlorophenyl)methyl]-1-ethyl-3-[[4-(2-methoxyethylamino)phenyl]methyl]guanidine
CID 111177240

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine (CID 111176378) is 2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine is CCN/C(=N\Cc1cccc(Cl)c1)NCc1cc(OC)c(OC)cc1OC.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine?
The InChIKey is FQQGTLSPPQKGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c1-5-22-20(23-12-14-7-6-8-16(21)9-14)24-13-15-10-18(26-3)19(27-4)11-17(15)25-2/h6-11H,5,12-13H2,1-4H3,(H2,22,23,24).
What are the key properties of 2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine?
2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine has a molecular weight of 391.90 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine is sourced from PubChem (CID 111176378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).