3-[2-(2-butoxyethoxy)ethyl]-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine

C19H32FN3O3 — CID 111499815

IUPAC3-[2-(2-butoxyethoxy)ethyl]-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine
SMILESCCCCOCCOCCN/C(=N\C)N(C)CCOc1ccccc1F
InChIInChI=1S/C19H32FN3O3/c1-4-5-12-24-15-16-25-13-10-22-19(21-2)23(3)11-14-26-18-9-7-6-8-17(18)20/h6-9H,4-5,10-16H2,1-3H3,(H,21,22)
InChIKeyOKALAZQQRLFEAH-UHFFFAOYSA-N
MW369.48 g/mol
LogP2.55
Rot. Bonds13

About 3-[2-(2-butoxyethoxy)ethyl]-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine

3-[2-(2-butoxyethoxy)ethyl]-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine (PubChem CID 111499815) has the molecular formula C19H32FN3O3 and a molecular weight of 369.48 g/mol. Its IUPAC name is 3-[2-(2-butoxyethoxy)ethyl]-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine.

Molecular Properties

Compound Name3-[2-(2-butoxyethoxy)ethyl]-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine
PubChem CID111499815
Molecular FormulaC19H32FN3O3
Molecular Weight369.48 g/mol
Exact Mass369.24
IUPAC Name3-[2-(2-butoxyethoxy)ethyl]-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine
SMILESCCCCOCCOCCN/C(=N\C)N(C)CCOc1ccccc1F
InChIInChI=1S/C19H32FN3O3/c1-4-5-12-24-15-16-25-13-10-22-19(21-2)23(3)11-14-26-18-9-7-6-8-17(18)20/h6-9H,4-5,10-16H2,1-3H3,(H,21,22)
InChIKeyOKALAZQQRLFEAH-UHFFFAOYSA-N
XLogP2.55
TPSA55.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-(2-butoxyethoxy)ethyl]-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine 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

N-[2-[[N-[2-(2-fluorophenoxy)ethyl]-N,N'-dimethylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111419461
1-[2-(2-fluorophenoxy)ethyl]-3-[2-(methanesulfonamido)ethyl]-1,2-dimethylguanidine
CID 111419341
3-cyclobutyl-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine;hydroiodide
CID 119153567
3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine
CID 111273297
1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethyl-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine
CID 111419415
3-(2-butoxyethyl)-1-[(4-ethoxyphenyl)methyl]-1,2-dimethylguanidine
CID 111275065
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-(3-ethoxypropyl)-1-[2-(2-fluorophenoxy)ethyl]-1-methylguanidine
CID 111419373
1-[2-(4-chlorophenoxy)ethyl]-3-[3-(2-methoxyethoxy)propyl]-1,2-dimethylguanidine;hydroiodide
CID 111308617
1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethyl-3-[(4-methylsulfanyloxan-4-yl)methyl]guanidine;hydroiodide
CID 111520774
N-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine
CID 78791127
1,2-dimethyl-1-[2-(2-methylphenoxy)ethyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111985196
1-(3-butoxypropyl)-3-[2-(2,4-difluorophenoxy)ethyl]-2-methylguanidine
CID 111783119

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-butoxyethoxy)ethyl]-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine?
The IUPAC name of 3-[2-(2-butoxyethoxy)ethyl]-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine (CID 111499815) is 3-[2-(2-butoxyethoxy)ethyl]-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine.
What is the SMILES notation for 3-[2-(2-butoxyethoxy)ethyl]-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine?
The canonical SMILES for 3-[2-(2-butoxyethoxy)ethyl]-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine is CCCCOCCOCCN/C(=N\C)N(C)CCOc1ccccc1F.
What is the InChIKey of 3-[2-(2-butoxyethoxy)ethyl]-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine?
The InChIKey is OKALAZQQRLFEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FN3O3/c1-4-5-12-24-15-16-25-13-10-22-19(21-2)23(3)11-14-26-18-9-7-6-8-17(18)20/h6-9H,4-5,10-16H2,1-3H3,(H,21,22).
What are the key properties of 3-[2-(2-butoxyethoxy)ethyl]-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine?
3-[2-(2-butoxyethoxy)ethyl]-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine has a molecular weight of 369.48 g/mol, XLogP of 2.55, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-butoxyethoxy)ethyl]-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine is sourced from PubChem (CID 111499815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).