2-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)guanidine

C19H26N4O2 — CID 75423261

IUPAC2-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)guanidine
SMILESCOCCCN/C(=N\Cc1cccc(OC)c1)NCc1ccccn1
InChIInChI=1S/C19H26N4O2/c1-24-12-6-11-21-19(23-15-17-8-3-4-10-20-17)22-14-16-7-5-9-18(13-16)25-2/h3-5,7-10,13H,6,11-12,14-15H2,1-2H3,(H2,21,22,23)
InChIKeyUOTDOEPOKQQZHW-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.36
Rot. Bonds9

About 2-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)guanidine

2-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)guanidine (PubChem CID 75423261) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)guanidine
PubChem CID75423261
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)guanidine
SMILESCOCCCN/C(=N\Cc1cccc(OC)c1)NCc1ccccn1
InChIInChI=1S/C19H26N4O2/c1-24-12-6-11-21-19(23-15-17-8-3-4-10-20-17)22-14-16-7-5-9-18(13-16)25-2/h3-5,7-10,13H,6,11-12,14-15H2,1-2H3,(H2,21,22,23)
InChIKeyUOTDOEPOKQQZHW-UHFFFAOYSA-N
XLogP2.36
TPSA67.77 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 ≤ 52.36
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-(3-methoxypropyl)-2-[(4-nitrophenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine
CID 111493940
1-[3-(3-methoxyphenoxy)propyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111790371
1-ethyl-3-(5-methoxypentyl)-2-[(3-methoxyphenyl)methyl]guanidine
CID 111251257
1-ethyl-3-[3-(3-methoxyphenoxy)propyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111790373
1-(3-methoxypropyl)-2-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110973114
2-[(3-ethoxyphenyl)methyl]-1-ethyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110967561
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-[(3-methoxyphenyl)methyl]-3-(3-methoxypropyl)guanidine;hydroiodide
CID 111769978
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111249183
2-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)-3-[(4-nitrophenyl)methyl]guanidine;hydroiodide
CID 111769994
1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110971307
1-(3-ethoxypropyl)-3-ethyl-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 111224465
1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111193839

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)guanidine (CID 75423261) is 2-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)guanidine is COCCCN/C(=N\Cc1cccc(OC)c1)NCc1ccccn1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)guanidine?
The InChIKey is UOTDOEPOKQQZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-24-12-6-11-21-19(23-15-17-8-3-4-10-20-17)22-14-16-7-5-9-18(13-16)25-2/h3-5,7-10,13H,6,11-12,14-15H2,1-2H3,(H2,21,22,23).
What are the key properties of 2-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)guanidine?
2-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)guanidine has a molecular weight of 342.44 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 75423261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).