1-(2,6-diethylphenyl)-2-[(3-fluoro-4-hydroxyphenyl)methyl]guanidine

C18H22FN3O — CID 111817018

IUPAC1-(2,6-diethylphenyl)-2-[(3-fluoro-4-hydroxyphenyl)methyl]guanidine
SMILESCCc1cccc(CC)c1N/C(N)=N/Cc1ccc(O)c(F)c1
InChIInChI=1S/C18H22FN3O/c1-3-13-6-5-7-14(4-2)17(13)22-18(20)21-11-12-8-9-16(23)15(19)10-12/h5-10,23H,3-4,11H2,1-2H3,(H3,20,21,22)
InChIKeyUTCREDGNXVGKBF-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.58
Rot. Bonds5

About 1-(2,6-diethylphenyl)-2-[(3-fluoro-4-hydroxyphenyl)methyl]guanidine

1-(2,6-diethylphenyl)-2-[(3-fluoro-4-hydroxyphenyl)methyl]guanidine (PubChem CID 111817018) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-2-[(3-fluoro-4-hydroxyphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-2-[(3-fluoro-4-hydroxyphenyl)methyl]guanidine
PubChem CID111817018
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name1-(2,6-diethylphenyl)-2-[(3-fluoro-4-hydroxyphenyl)methyl]guanidine
SMILESCCc1cccc(CC)c1N/C(N)=N/Cc1ccc(O)c(F)c1
InChIInChI=1S/C18H22FN3O/c1-3-13-6-5-7-14(4-2)17(13)22-18(20)21-11-12-8-9-16(23)15(19)10-12/h5-10,23H,3-4,11H2,1-2H3,(H3,20,21,22)
InChIKeyUTCREDGNXVGKBF-UHFFFAOYSA-N
XLogP3.58
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,6-diethylphenyl)-2-[(3-fluoro-4-hydroxyphenyl)methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-phenylguanidine;hydroiodide
CID 111439321
1-(3,5-dimethylphenyl)-2-[(3-fluoro-4-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 75424535
2-[(4-cyanophenyl)methyl]-1-(2,6-diethylphenyl)guanidine
CID 111052309
1-(2,6-diethylphenyl)-2-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]guanidine
CID 111816730
2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-hexylguanidine
CID 111817114
1-(2,6-diethylphenyl)-2-[[2-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053928
2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111817088
2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111817069
1-(2,6-diethylphenyl)-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 120913671
1-(4-ethylphenyl)-2-[(3-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111045959
2-[4-[[[amino-(2,6-diethylanilino)methylidene]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide;hydroiodide
CID 111048129
1-(2,6-diethylphenyl)-2-(2-sulfamoylethyl)guanidine
CID 111046599

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-2-[(3-fluoro-4-hydroxyphenyl)methyl]guanidine?
The IUPAC name of 1-(2,6-diethylphenyl)-2-[(3-fluoro-4-hydroxyphenyl)methyl]guanidine (CID 111817018) is 1-(2,6-diethylphenyl)-2-[(3-fluoro-4-hydroxyphenyl)methyl]guanidine.
What is the SMILES notation for 1-(2,6-diethylphenyl)-2-[(3-fluoro-4-hydroxyphenyl)methyl]guanidine?
The canonical SMILES for 1-(2,6-diethylphenyl)-2-[(3-fluoro-4-hydroxyphenyl)methyl]guanidine is CCc1cccc(CC)c1N/C(N)=N/Cc1ccc(O)c(F)c1.
What is the InChIKey of 1-(2,6-diethylphenyl)-2-[(3-fluoro-4-hydroxyphenyl)methyl]guanidine?
The InChIKey is UTCREDGNXVGKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-3-13-6-5-7-14(4-2)17(13)22-18(20)21-11-12-8-9-16(23)15(19)10-12/h5-10,23H,3-4,11H2,1-2H3,(H3,20,21,22).
What are the key properties of 1-(2,6-diethylphenyl)-2-[(3-fluoro-4-hydroxyphenyl)methyl]guanidine?
1-(2,6-diethylphenyl)-2-[(3-fluoro-4-hydroxyphenyl)methyl]guanidine has a molecular weight of 315.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-2-[(3-fluoro-4-hydroxyphenyl)methyl]guanidine is sourced from PubChem (CID 111817018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).