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

C19H26N4O2 — CID 111061031

IUPAC1-butyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine
SMILESCCCCN/C(N)=N/Cc1ccc(OCCOc2ccccc2)nc1
InChIInChI=1S/C19H26N4O2/c1-2-3-11-21-19(20)23-15-16-9-10-18(22-14-16)25-13-12-24-17-7-5-4-6-8-17/h4-10,14H,2-3,11-13,15H2,1H3,(H3,20,21,23)
InChIKeyFOPPAGRXSMOFHJ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.74
Rot. Bonds10

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

1-butyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine (PubChem CID 111061031) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-butyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine.

Molecular Properties

Compound Name1-butyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine
PubChem CID111061031
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-butyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine
SMILESCCCCN/C(N)=N/Cc1ccc(OCCOc2ccccc2)nc1
InChIInChI=1S/C19H26N4O2/c1-2-3-11-21-19(20)23-15-16-9-10-18(22-14-16)25-13-12-24-17-7-5-4-6-8-17/h4-10,14H,2-3,11-13,15H2,1H3,(H3,20,21,23)
InChIKeyFOPPAGRXSMOFHJ-UHFFFAOYSA-N
XLogP2.74
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.74
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

2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111061038
1-butyl-2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]guanidine
CID 111051192
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-(3,4-dimethoxyphenyl)-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine
CID 111061059
2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111061075
1-butyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]guanidine
CID 111061369
2-[(6-methoxy-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide
CID 110924455
1-butyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111061368
1,1,3,3-tetramethyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111061060
1-ethyl-2-[(6-methoxy-3-pyridinyl)methyl]-3-(3-phenoxypropyl)guanidine;hydroiodide
CID 111417594

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine?
The IUPAC name of 1-butyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine (CID 111061031) is 1-butyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine.
What is the SMILES notation for 1-butyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine?
The canonical SMILES for 1-butyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine is CCCCN/C(N)=N/Cc1ccc(OCCOc2ccccc2)nc1.
What is the InChIKey of 1-butyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine?
The InChIKey is FOPPAGRXSMOFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-3-11-21-19(20)23-15-16-9-10-18(22-14-16)25-13-12-24-17-7-5-4-6-8-17/h4-10,14H,2-3,11-13,15H2,1H3,(H3,20,21,23).
What are the key properties of 1-butyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine?
1-butyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine has a molecular weight of 342.44 g/mol, XLogP of 2.74, 10 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-phenoxyethoxy)-3-pyridinyl]methyl]guanidine is sourced from PubChem (CID 111061031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).