1-[2-(methoxymethyl)phenyl]-2-[(5-methylthiophen-2-yl)methyl]guanidine

C15H19N3OS — CID 119163631

IUPAC1-[2-(methoxymethyl)phenyl]-2-[(5-methylthiophen-2-yl)methyl]guanidine
SMILESCOCc1ccccc1N/C(N)=N/Cc1ccc(C)s1
InChIInChI=1S/C15H19N3OS/c1-11-7-8-13(20-11)9-17-15(16)18-14-6-4-3-5-12(14)10-19-2/h3-8H,9-10H2,1-2H3,(H3,16,17,18)
InChIKeyPGGMMXLSMLVISP-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.13
Rot. Bonds5

About 1-[2-(methoxymethyl)phenyl]-2-[(5-methylthiophen-2-yl)methyl]guanidine

1-[2-(methoxymethyl)phenyl]-2-[(5-methylthiophen-2-yl)methyl]guanidine (PubChem CID 119163631) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)phenyl]-2-[(5-methylthiophen-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-[2-(methoxymethyl)phenyl]-2-[(5-methylthiophen-2-yl)methyl]guanidine
PubChem CID119163631
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-[2-(methoxymethyl)phenyl]-2-[(5-methylthiophen-2-yl)methyl]guanidine
SMILESCOCc1ccccc1N/C(N)=N/Cc1ccc(C)s1
InChIInChI=1S/C15H19N3OS/c1-11-7-8-13(20-11)9-17-15(16)18-14-6-4-3-5-12(14)10-19-2/h3-8H,9-10H2,1-2H3,(H3,16,17,18)
InChIKeyPGGMMXLSMLVISP-UHFFFAOYSA-N
XLogP3.13
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.13
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-[2-(methoxymethyl)phenyl]-2-[(6-methyl-3-pyridinyl)methyl]guanidine
CID 119163637
2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-[2-(methoxymethyl)phenyl]guanidine
CID 120913688
2-(2-chloroprop-2-enyl)-1-[2-(methoxymethyl)phenyl]guanidine
CID 119163681
2-tert-butyl-1-[2-(methoxymethyl)phenyl]guanidine
CID 62378566
1-[2-(methoxymethyl)phenyl]-2-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide
CID 119163660
2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1-[2-(methoxymethyl)phenyl]guanidine;hydroiodide
CID 119163658
1-(3-methylphenyl)-2-[(5-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111045993
1-[2-(methoxymethyl)phenyl]-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 119163641
1-[2-(methoxymethyl)phenyl]-2-(2,2,3,3-tetramethylcyclopropyl)guanidine;hydroiodide
CID 119163664
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-[2-(methoxymethyl)phenyl]guanidine
CID 122096811
2-[(5-methylthiophen-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111046053
1-(2,6-diethylphenyl)-2-[[2-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053928

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)phenyl]-2-[(5-methylthiophen-2-yl)methyl]guanidine?
The IUPAC name of 1-[2-(methoxymethyl)phenyl]-2-[(5-methylthiophen-2-yl)methyl]guanidine (CID 119163631) is 1-[2-(methoxymethyl)phenyl]-2-[(5-methylthiophen-2-yl)methyl]guanidine.
What is the SMILES notation for 1-[2-(methoxymethyl)phenyl]-2-[(5-methylthiophen-2-yl)methyl]guanidine?
The canonical SMILES for 1-[2-(methoxymethyl)phenyl]-2-[(5-methylthiophen-2-yl)methyl]guanidine is COCc1ccccc1N/C(N)=N/Cc1ccc(C)s1.
What is the InChIKey of 1-[2-(methoxymethyl)phenyl]-2-[(5-methylthiophen-2-yl)methyl]guanidine?
The InChIKey is PGGMMXLSMLVISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11-7-8-13(20-11)9-17-15(16)18-14-6-4-3-5-12(14)10-19-2/h3-8H,9-10H2,1-2H3,(H3,16,17,18).
What are the key properties of 1-[2-(methoxymethyl)phenyl]-2-[(5-methylthiophen-2-yl)methyl]guanidine?
1-[2-(methoxymethyl)phenyl]-2-[(5-methylthiophen-2-yl)methyl]guanidine has a molecular weight of 289.40 g/mol, XLogP of 3.13, 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-[(5-methylthiophen-2-yl)methyl]guanidine is sourced from PubChem (CID 119163631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).