2-[(2-methoxy-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine

C15H18N4O — CID 111050604

IUPAC2-[(2-methoxy-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine
SMILESCOc1ncccc1C/N=C(\N)Nc1cccc(C)c1
InChIInChI=1S/C15H18N4O/c1-11-5-3-7-13(9-11)19-15(16)18-10-12-6-4-8-17-14(12)20-2/h3-9H,10H2,1-2H3,(H3,16,18,19)
InChIKeyAVETVFFKJUOSDD-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.33
Rot. Bonds4

About 2-[(2-methoxy-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine

2-[(2-methoxy-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine (PubChem CID 111050604) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[(2-methoxy-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine.

Molecular Properties

Compound Name2-[(2-methoxy-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine
PubChem CID111050604
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-[(2-methoxy-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine
SMILESCOc1ncccc1C/N=C(\N)Nc1cccc(C)c1
InChIInChI=1S/C15H18N4O/c1-11-5-3-7-13(9-11)19-15(16)18-10-12-6-4-8-17-14(12)20-2/h3-9H,10H2,1-2H3,(H3,16,18,19)
InChIKeyAVETVFFKJUOSDD-UHFFFAOYSA-N
XLogP2.33
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethylphenyl)-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
CID 111050638
2-[(2-ethoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine
CID 111050738
2-[(2-butoxy-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine
CID 111083455
2-[(2-ethoxy-3-pyridinyl)methyl]-1-(4-methoxyphenyl)guanidine
CID 111050696
1-(3-chloro-4-methoxyphenyl)-2-[(2-ethoxy-3-pyridinyl)methyl]guanidine
CID 111050768
1-(3-chloro-4-methoxyphenyl)-2-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111050585
2-[(2-butoxy-3-pyridinyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111083416
1-(3-propan-2-ylphenyl)-2-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111050401
2-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)guanidine
CID 111024200
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-ethoxy-3-pyridinyl)methyl]guanidine
CID 111050752
1-(3-chloro-4-methoxyphenyl)-2-[(2-cyclopentyloxy-3-pyridinyl)methyl]guanidine
CID 111050146
1-(cyclobutylmethyl)-2-[(2-methoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111050659

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine?
The IUPAC name of 2-[(2-methoxy-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine (CID 111050604) is 2-[(2-methoxy-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine.
What is the SMILES notation for 2-[(2-methoxy-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine?
The canonical SMILES for 2-[(2-methoxy-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine is COc1ncccc1C/N=C(\N)Nc1cccc(C)c1.
What is the InChIKey of 2-[(2-methoxy-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine?
The InChIKey is AVETVFFKJUOSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11-5-3-7-13(9-11)19-15(16)18-10-12-6-4-8-17-14(12)20-2/h3-9H,10H2,1-2H3,(H3,16,18,19).
What are the key properties of 2-[(2-methoxy-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine?
2-[(2-methoxy-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine has a molecular weight of 270.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-3-pyridinyl)methyl]-1-(3-methylphenyl)guanidine is sourced from PubChem (CID 111050604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).