1-ethyl-2-[2-(2-fluorophenyl)ethyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]guanidine

C20H26FN3O2 — CID 111785985

IUPAC1-ethyl-2-[2-(2-fluorophenyl)ethyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]guanidine
SMILESCCN/C(=N\CCc1ccccc1F)NCCc1ccc(O)c(OC)c1
InChIInChI=1S/C20H26FN3O2/c1-3-22-20(24-13-11-16-6-4-5-7-17(16)21)23-12-10-15-8-9-18(25)19(14-15)26-2/h4-9,14,25H,3,10-13H2,1-2H3,(H2,22,23,24)
InChIKeyWHQHAYOQFSZFFS-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.88
Rot. Bonds8

About 1-ethyl-2-[2-(2-fluorophenyl)ethyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]guanidine

1-ethyl-2-[2-(2-fluorophenyl)ethyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]guanidine (PubChem CID 111785985) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-ethyl-2-[2-(2-fluorophenyl)ethyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(2-fluorophenyl)ethyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]guanidine
PubChem CID111785985
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Name1-ethyl-2-[2-(2-fluorophenyl)ethyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]guanidine
SMILESCCN/C(=N\CCc1ccccc1F)NCCc1ccc(O)c(OC)c1
InChIInChI=1S/C20H26FN3O2/c1-3-22-20(24-13-11-16-6-4-5-7-17(16)21)23-12-10-15-8-9-18(25)19(14-15)26-2/h4-9,14,25H,3,10-13H2,1-2H3,(H2,22,23,24)
InChIKeyWHQHAYOQFSZFFS-UHFFFAOYSA-N
XLogP2.88
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-ethyl-2-[2-(2-fluorophenyl)ethyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]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

1-ethyl-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111785270
1-ethyl-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111782076
1-ethyl-3-[2-(3-hydroxyphenyl)ethyl]-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 111340973
1-ethyl-3-[2-(3-fluorophenyl)ethyl]-2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111396706
1-ethyl-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[(4-methylphenyl)methyl]guanidine
CID 111783186
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-2-[2-(2-fluorophenyl)ethyl]guanidine
CID 111563348
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111170026
3-[2-[[N-ethyl-N'-[2-(2-fluorophenyl)ethyl]carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111669460
1-[2-(2-fluorophenyl)ethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]-2-methylguanidine
CID 111589131
N-[2-[[N-ethyl-N'-[2-(2-fluorophenyl)ethyl]carbamimidoyl]amino]ethyl]-4-methoxybenzamide
CID 111361491
1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 110913748
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(3,4-dimethoxyphenyl)propyl]-3-ethylguanidine
CID 111213781

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(2-fluorophenyl)ethyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-(2-fluorophenyl)ethyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]guanidine (CID 111785985) is 1-ethyl-2-[2-(2-fluorophenyl)ethyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(2-fluorophenyl)ethyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-(2-fluorophenyl)ethyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]guanidine is CCN/C(=N\CCc1ccccc1F)NCCc1ccc(O)c(OC)c1.
What is the InChIKey of 1-ethyl-2-[2-(2-fluorophenyl)ethyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]guanidine?
The InChIKey is WHQHAYOQFSZFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-3-22-20(24-13-11-16-6-4-5-7-17(16)21)23-12-10-15-8-9-18(25)19(14-15)26-2/h4-9,14,25H,3,10-13H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-ethyl-2-[2-(2-fluorophenyl)ethyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]guanidine?
1-ethyl-2-[2-(2-fluorophenyl)ethyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]guanidine has a molecular weight of 359.45 g/mol, XLogP of 2.88, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(2-fluorophenyl)ethyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]guanidine is sourced from PubChem (CID 111785985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).