1-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine

C15H19N3O2 — CID 110933655

IUPAC1-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
SMILESC/N=C(\NCc1ccco1)NCc1ccccc1OC
InChIInChI=1S/C15H19N3O2/c1-16-15(18-11-13-7-5-9-20-13)17-10-12-6-3-4-8-14(12)19-2/h3-9H,10-11H2,1-2H3,(H2,16,17,18)
InChIKeyLORBHVIMQSHRFI-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.15
Rot. Bonds5

About 1-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine

1-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine (PubChem CID 110933655) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
PubChem CID110933655
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
SMILESC/N=C(\NCc1ccco1)NCc1ccccc1OC
InChIInChI=1S/C15H19N3O2/c1-16-15(18-11-13-7-5-9-20-13)17-10-12-6-3-4-8-14(12)19-2/h3-9H,10-11H2,1-2H3,(H2,16,17,18)
InChIKeyLORBHVIMQSHRFI-UHFFFAOYSA-N
XLogP2.15
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.15
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-(furan-2-ylmethyl)-3-[(2-hydroxy-3-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110935472
1-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111773549
1-[(2-ethoxyphenyl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111354768
1-ethyl-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111216372
1-[(2-methoxyphenyl)methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111215477
1-[(2-methoxyphenyl)methyl]-2-methyl-3-prop-2-enylguanidine
CID 110981483
N-[4-[[[N-[(2-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111215746
1-[2-(furan-2-yl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111355335
2-[[N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 111564135
1-(2-ethylbutyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111778465
1-(furan-2-ylmethyl)-2-methyl-3-(quinolin-4-ylmethyl)guanidine
CID 111751892
N-[3-[[[N-[(2-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111216112

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine (CID 110933655) is 1-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine is C/N=C(\NCc1ccco1)NCc1ccccc1OC.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine?
The InChIKey is LORBHVIMQSHRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-16-15(18-11-13-7-5-9-20-13)17-10-12-6-3-4-8-14(12)19-2/h3-9H,10-11H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine?
1-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine has a molecular weight of 273.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine is sourced from PubChem (CID 110933655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).