1-ethyl-2-[(3-methoxyphenyl)methyl]-3-propylguanidine

C14H23N3O — CID 111225399

IUPAC1-ethyl-2-[(3-methoxyphenyl)methyl]-3-propylguanidine
SMILESCCCN/C(=N/Cc1cccc(OC)c1)NCC
InChIInChI=1S/C14H23N3O/c1-4-9-16-14(15-5-2)17-11-12-7-6-8-13(10-12)18-3/h6-8,10H,4-5,9,11H2,1-3H3,(H2,15,16,17)
InChIKeyLHAMWRWUKWJNAB-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.16
Rot. Bonds6

About 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-propylguanidine

1-ethyl-2-[(3-methoxyphenyl)methyl]-3-propylguanidine (PubChem CID 111225399) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-propylguanidine.

Molecular Properties

Compound Name1-ethyl-2-[(3-methoxyphenyl)methyl]-3-propylguanidine
PubChem CID111225399
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-ethyl-2-[(3-methoxyphenyl)methyl]-3-propylguanidine
SMILESCCCN/C(=N/Cc1cccc(OC)c1)NCC
InChIInChI=1S/C14H23N3O/c1-4-9-16-14(15-5-2)17-11-12-7-6-8-13(10-12)18-3/h6-8,10H,4-5,9,11H2,1-3H3,(H2,15,16,17)
InChIKeyLHAMWRWUKWJNAB-UHFFFAOYSA-N
XLogP2.16
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.16
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'}

Analyze 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-propylguanidine 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-ethyl-3-(2-ethylsulfonylethyl)-2-[(3-methoxyphenyl)methyl]guanidine
CID 111250781
1-ethyl-2,3-bis[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111249108
1-(2-ethoxyethyl)-3-ethyl-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 75420924
1-ethyl-3-(5-methoxypentyl)-2-[(3-methoxyphenyl)methyl]guanidine
CID 111251257
N-[2-[[N-ethyl-N'-[(3-methoxyphenyl)methyl]carbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111249191
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-methylpropyl)guanidine
CID 111180513
1-ethyl-2-[(3-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111877770
1-[2-[butyl(methyl)amino]ethyl]-3-ethyl-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111783347
2-[[N'-[(3-methoxyphenyl)methyl]-N-propylcarbamimidoyl]amino]-N,N-dimethylacetamide
CID 111770013
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(3-propan-2-yloxypropyl)guanidine
CID 111246563
N-[2-[[N-ethyl-N'-[(3-methoxyphenyl)methyl]carbamimidoyl]amino]ethyl]-3-methoxybenzamide;hydroiodide
CID 111250826
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-[3-(3-methoxyphenyl)propyl]guanidine
CID 111184168

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-propylguanidine?
The IUPAC name of 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-propylguanidine (CID 111225399) is 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-propylguanidine.
What is the SMILES notation for 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-propylguanidine?
The canonical SMILES for 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-propylguanidine is CCCN/C(=N/Cc1cccc(OC)c1)NCC.
What is the InChIKey of 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-propylguanidine?
The InChIKey is LHAMWRWUKWJNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-9-16-14(15-5-2)17-11-12-7-6-8-13(10-12)18-3/h6-8,10H,4-5,9,11H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-propylguanidine?
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-propylguanidine has a molecular weight of 249.36 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(3-methoxyphenyl)methyl]-3-propylguanidine is sourced from PubChem (CID 111225399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).