1-butyl-2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]guanidine

C19H26N4O2 — CID 111051192

IUPAC1-butyl-2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]guanidine
SMILESCCCCN/C(N)=N/Cc1ccc(Oc2ccccc2OCC)nc1
InChIInChI=1S/C19H26N4O2/c1-3-5-12-21-19(20)23-14-15-10-11-18(22-13-15)25-17-9-7-6-8-16(17)24-4-2/h6-11,13H,3-5,12,14H2,1-2H3,(H3,20,21,23)
InChIKeyJYHXKWMYZZOLCU-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.48
Rot. Bonds9

About 1-butyl-2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]guanidine

1-butyl-2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]guanidine (PubChem CID 111051192) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-butyl-2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]guanidine.

Molecular Properties

Compound Name1-butyl-2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]guanidine
PubChem CID111051192
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-butyl-2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]guanidine
SMILESCCCCN/C(N)=N/Cc1ccc(Oc2ccccc2OCC)nc1
InChIInChI=1S/C19H26N4O2/c1-3-5-12-21-19(20)23-14-15-10-11-18(22-13-15)25-17-9-7-6-8-16(17)24-4-2/h6-11,13H,3-5,12,14H2,1-2H3,(H3,20,21,23)
InChIKeyJYHXKWMYZZOLCU-UHFFFAOYSA-N
XLogP3.48
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.48
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'}

Analyze 1-butyl-2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]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-butyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine
CID 111061031
1-butyl-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
CID 111061095
1-butyl-2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine
CID 111086403
2-[(6-methoxy-3-pyridinyl)methyl]-1-octylguanidine
CID 111038712
1-butyl-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111152170
1-(4-ethoxybutyl)-2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-ethylguanidine
CID 111945861
N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide
CID 111051246
2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109472219
2-[(6-methoxy-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide
CID 110924455
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111598479
1-butyl-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine;hydroiodide
CID 111808577
2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide
CID 111848574

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]guanidine?
The IUPAC name of 1-butyl-2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]guanidine (CID 111051192) is 1-butyl-2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]guanidine.
What is the SMILES notation for 1-butyl-2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]guanidine?
The canonical SMILES for 1-butyl-2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]guanidine is CCCCN/C(N)=N/Cc1ccc(Oc2ccccc2OCC)nc1.
What is the InChIKey of 1-butyl-2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]guanidine?
The InChIKey is JYHXKWMYZZOLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-5-12-21-19(20)23-14-15-10-11-18(22-13-15)25-17-9-7-6-8-16(17)24-4-2/h6-11,13H,3-5,12,14H2,1-2H3,(H3,20,21,23).
What are the key properties of 1-butyl-2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]guanidine?
1-butyl-2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]guanidine has a molecular weight of 342.44 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]guanidine is sourced from PubChem (CID 111051192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).