1-(3-methoxyphenyl)-2-(2-phenylmethoxyethyl)guanidine

C17H21N3O2 — CID 111600655

IUPAC1-(3-methoxyphenyl)-2-(2-phenylmethoxyethyl)guanidine
SMILESCOc1cccc(N/C(N)=N/CCOCc2ccccc2)c1
InChIInChI=1S/C17H21N3O2/c1-21-16-9-5-8-15(12-16)20-17(18)19-10-11-22-13-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H3,18,19,20)
InChIKeyGCIKIDWCVAHKMR-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.64
Rot. Bonds7

About 1-(3-methoxyphenyl)-2-(2-phenylmethoxyethyl)guanidine

1-(3-methoxyphenyl)-2-(2-phenylmethoxyethyl)guanidine (PubChem CID 111600655) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(2-phenylmethoxyethyl)guanidine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(2-phenylmethoxyethyl)guanidine
PubChem CID111600655
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-(3-methoxyphenyl)-2-(2-phenylmethoxyethyl)guanidine
SMILESCOc1cccc(N/C(N)=N/CCOCc2ccccc2)c1
InChIInChI=1S/C17H21N3O2/c1-21-16-9-5-8-15(12-16)20-17(18)19-10-11-22-13-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H3,18,19,20)
InChIKeyGCIKIDWCVAHKMR-UHFFFAOYSA-N
XLogP2.64
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methoxyphenyl)-2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053736
2-[2-(3-methoxyphenoxy)ethyl]-1-phenylguanidine
CID 100667411
2-[2-(2-butoxyethoxy)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111821840
1-(3-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 111031972
1-(3-methoxyphenyl)-2-[[3-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111075946
1-(3-ethylphenyl)-2-[3-(2-phenylmethoxyethoxy)propyl]guanidine;hydroiodide
CID 110018549
2-[[3-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 111053993
2-[2-(3-chlorophenyl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111031316
1-(3-methoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine
CID 111811244
1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine
CID 111046944
2-[2-(3,5-difluorophenyl)ethyl]-1-(3-methoxyphenyl)guanidine
CID 111090273
2-[2-(3-fluorophenoxy)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111057887

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(2-phenylmethoxyethyl)guanidine?
The IUPAC name of 1-(3-methoxyphenyl)-2-(2-phenylmethoxyethyl)guanidine (CID 111600655) is 1-(3-methoxyphenyl)-2-(2-phenylmethoxyethyl)guanidine.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(2-phenylmethoxyethyl)guanidine?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(2-phenylmethoxyethyl)guanidine is COc1cccc(N/C(N)=N/CCOCc2ccccc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(2-phenylmethoxyethyl)guanidine?
The InChIKey is GCIKIDWCVAHKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-21-16-9-5-8-15(12-16)20-17(18)19-10-11-22-13-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H3,18,19,20).
What are the key properties of 1-(3-methoxyphenyl)-2-(2-phenylmethoxyethyl)guanidine?
1-(3-methoxyphenyl)-2-(2-phenylmethoxyethyl)guanidine has a molecular weight of 299.37 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(2-phenylmethoxyethyl)guanidine is sourced from PubChem (CID 111600655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).