1-butyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine

C16H27N3O2 — CID 111502959

IUPAC1-butyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
SMILESCCCCN/C(=N\C)NCC(C)Oc1ccccc1OC
InChIInChI=1S/C16H27N3O2/c1-5-6-11-18-16(17-3)19-12-13(2)21-15-10-8-7-9-14(15)20-4/h7-10,13H,5-6,11-12H2,1-4H3,(H2,17,18,19)
InChIKeyXBVQXKJNLDRJIR-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.43
Rot. Bonds8

About 1-butyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine

1-butyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine (PubChem CID 111502959) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-butyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-butyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
PubChem CID111502959
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-butyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
SMILESCCCCN/C(=N\C)NCC(C)Oc1ccccc1OC
InChIInChI=1S/C16H27N3O2/c1-5-6-11-18-16(17-3)19-12-13(2)21-15-10-8-7-9-14(15)20-4/h7-10,13H,5-6,11-12H2,1-4H3,(H2,17,18,19)
InChIKeyXBVQXKJNLDRJIR-UHFFFAOYSA-N
XLogP2.43
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-butyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine 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-[2-(2-methoxyphenoxy)propyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 111494446
1-butyl-2-methyl-3-[2-(2-methylphenoxy)propyl]guanidine
CID 111502965
1-(5-methoxypentyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
CID 111682876
1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 75494544
1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine
CID 111503327
1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111503624
1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-prop-2-ynylguanidine
CID 111682632
1-[2-(2,6-difluorophenyl)ethyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
CID 111682884
1-butan-2-yl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111492013
1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine;hydroiodide
CID 111682635
2-methyl-1-pentyl-3-(2-phenoxypropyl)guanidine
CID 111787907
4-methoxy-N-[2-[[N-[2-(2-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 111682136

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine?
The IUPAC name of 1-butyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine (CID 111502959) is 1-butyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine.
What is the SMILES notation for 1-butyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine?
The canonical SMILES for 1-butyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine is CCCCN/C(=N\C)NCC(C)Oc1ccccc1OC.
What is the InChIKey of 1-butyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine?
The InChIKey is XBVQXKJNLDRJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-6-11-18-16(17-3)19-12-13(2)21-15-10-8-7-9-14(15)20-4/h7-10,13H,5-6,11-12H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-butyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine?
1-butyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine has a molecular weight of 293.41 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine is sourced from PubChem (CID 111502959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).