1-[2-(methoxymethyl)phenyl]-2-[(6-methyl-3-pyridinyl)methyl]guanidine

C16H20N4O — CID 119163637

IUPAC1-[2-(methoxymethyl)phenyl]-2-[(6-methyl-3-pyridinyl)methyl]guanidine
SMILESCOCc1ccccc1N/C(N)=N/Cc1ccc(C)nc1
InChIInChI=1S/C16H20N4O/c1-12-7-8-13(9-18-12)10-19-16(17)20-15-6-4-3-5-14(15)11-21-2/h3-9H,10-11H2,1-2H3,(H3,17,19,20)
InChIKeyCAHHSAFVXKEKTK-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.46
Rot. Bonds5

About 1-[2-(methoxymethyl)phenyl]-2-[(6-methyl-3-pyridinyl)methyl]guanidine

1-[2-(methoxymethyl)phenyl]-2-[(6-methyl-3-pyridinyl)methyl]guanidine (PubChem CID 119163637) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)phenyl]-2-[(6-methyl-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-[2-(methoxymethyl)phenyl]-2-[(6-methyl-3-pyridinyl)methyl]guanidine
PubChem CID119163637
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[2-(methoxymethyl)phenyl]-2-[(6-methyl-3-pyridinyl)methyl]guanidine
SMILESCOCc1ccccc1N/C(N)=N/Cc1ccc(C)nc1
InChIInChI=1S/C16H20N4O/c1-12-7-8-13(9-18-12)10-19-16(17)20-15-6-4-3-5-14(15)11-21-2/h3-9H,10-11H2,1-2H3,(H3,17,19,20)
InChIKeyCAHHSAFVXKEKTK-UHFFFAOYSA-N
XLogP2.46
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.46
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

2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-[2-(methoxymethyl)phenyl]guanidine
CID 120913688
1-[2-(methoxymethyl)phenyl]-2-[(5-methylthiophen-2-yl)methyl]guanidine
CID 119163631
1-[2-(methoxymethyl)phenyl]-2-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide
CID 119163660
2-(2-chloroprop-2-enyl)-1-[2-(methoxymethyl)phenyl]guanidine
CID 119163681
1-[2-(methoxymethyl)phenyl]-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 119163641
2-tert-butyl-1-[2-(methoxymethyl)phenyl]guanidine
CID 62378566
(6-methyl-3-pyridinyl)methyl 2-(methoxymethyl)benzoate
CID 75386087
1-(2,6-diethylphenyl)-2-[[2-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053928
1-[2-(methoxymethyl)phenyl]-2-(2,2,3,3-tetramethylcyclopropyl)guanidine;hydroiodide
CID 119163664
1-(3-ethylphenyl)-2-[[2-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053940
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111049997
2-[(6-chloro-3-pyridinyl)methyl]-1-methoxyguanidine
CID 143232776

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)phenyl]-2-[(6-methyl-3-pyridinyl)methyl]guanidine?
The IUPAC name of 1-[2-(methoxymethyl)phenyl]-2-[(6-methyl-3-pyridinyl)methyl]guanidine (CID 119163637) is 1-[2-(methoxymethyl)phenyl]-2-[(6-methyl-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-[2-(methoxymethyl)phenyl]-2-[(6-methyl-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-[2-(methoxymethyl)phenyl]-2-[(6-methyl-3-pyridinyl)methyl]guanidine is COCc1ccccc1N/C(N)=N/Cc1ccc(C)nc1.
What is the InChIKey of 1-[2-(methoxymethyl)phenyl]-2-[(6-methyl-3-pyridinyl)methyl]guanidine?
The InChIKey is CAHHSAFVXKEKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-7-8-13(9-18-12)10-19-16(17)20-15-6-4-3-5-14(15)11-21-2/h3-9H,10-11H2,1-2H3,(H3,17,19,20).
What are the key properties of 1-[2-(methoxymethyl)phenyl]-2-[(6-methyl-3-pyridinyl)methyl]guanidine?
1-[2-(methoxymethyl)phenyl]-2-[(6-methyl-3-pyridinyl)methyl]guanidine has a molecular weight of 284.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)phenyl]-2-[(6-methyl-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 119163637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).