1-(2-methoxyethyl)-3-[2-(4-methoxyphenoxy)propyl]-2-methylguanidine

C15H25N3O3 — CID 111544681

IUPAC1-(2-methoxyethyl)-3-[2-(4-methoxyphenoxy)propyl]-2-methylguanidine
SMILESC/N=C(\NCCOC)NCC(C)Oc1ccc(OC)cc1
InChIInChI=1S/C15H25N3O3/c1-12(11-18-15(16-2)17-9-10-19-3)21-14-7-5-13(20-4)6-8-14/h5-8,12H,9-11H2,1-4H3,(H2,16,17,18)
InChIKeyNAKUTERPYJOTMB-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.27
Rot. Bonds8

About 1-(2-methoxyethyl)-3-[2-(4-methoxyphenoxy)propyl]-2-methylguanidine

1-(2-methoxyethyl)-3-[2-(4-methoxyphenoxy)propyl]-2-methylguanidine (PubChem CID 111544681) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[2-(4-methoxyphenoxy)propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[2-(4-methoxyphenoxy)propyl]-2-methylguanidine
PubChem CID111544681
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-(2-methoxyethyl)-3-[2-(4-methoxyphenoxy)propyl]-2-methylguanidine
SMILESC/N=C(\NCCOC)NCC(C)Oc1ccc(OC)cc1
InChIInChI=1S/C15H25N3O3/c1-12(11-18-15(16-2)17-9-10-19-3)21-14-7-5-13(20-4)6-8-14/h5-8,12H,9-11H2,1-4H3,(H2,16,17,18)
InChIKeyNAKUTERPYJOTMB-UHFFFAOYSA-N
XLogP1.27
TPSA64.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
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'}

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Related Compounds

1-[2-(2-methoxyethoxy)ethyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111679931
1-[2-(4-methoxyphenoxy)propyl]-2,3-dimethylguanidine;hydroiodide
CID 111465658
1-[2-(4-fluorophenoxy)propyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 111494395
1-[2-(3-chlorophenoxy)propyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 111491881
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(4-methylphenoxy)propyl]guanidine
CID 111788834
1-(2-methoxyethyl)-2-methyl-3-[2-(2-methylphenoxy)propyl]guanidine;hydroiodide
CID 111491769
1-(2-methoxyethyl)-2-methyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 110939144
1-butan-2-yl-3-[2-(4-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111545198
1-[2-(2-methoxyphenoxy)propyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 111494446
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 111494985
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(3-methylphenoxy)propyl]guanidine;hydroiodide
CID 111502752
1-(4-ethoxybutyl)-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111679689

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[2-(4-methoxyphenoxy)propyl]-2-methylguanidine?
The IUPAC name of 1-(2-methoxyethyl)-3-[2-(4-methoxyphenoxy)propyl]-2-methylguanidine (CID 111544681) is 1-(2-methoxyethyl)-3-[2-(4-methoxyphenoxy)propyl]-2-methylguanidine.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[2-(4-methoxyphenoxy)propyl]-2-methylguanidine?
The canonical SMILES for 1-(2-methoxyethyl)-3-[2-(4-methoxyphenoxy)propyl]-2-methylguanidine is C/N=C(\NCCOC)NCC(C)Oc1ccc(OC)cc1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[2-(4-methoxyphenoxy)propyl]-2-methylguanidine?
The InChIKey is NAKUTERPYJOTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-12(11-18-15(16-2)17-9-10-19-3)21-14-7-5-13(20-4)6-8-14/h5-8,12H,9-11H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-(2-methoxyethyl)-3-[2-(4-methoxyphenoxy)propyl]-2-methylguanidine?
1-(2-methoxyethyl)-3-[2-(4-methoxyphenoxy)propyl]-2-methylguanidine has a molecular weight of 295.38 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[2-(4-methoxyphenoxy)propyl]-2-methylguanidine is sourced from PubChem (CID 111544681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).