1-[[2-(ethoxymethyl)phenyl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine

C19H24FN3O — CID 111876309

IUPAC1-[[2-(ethoxymethyl)phenyl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine
SMILESCCOCc1ccccc1CN/C(=N/C)NCc1cccc(F)c1
InChIInChI=1S/C19H24FN3O/c1-3-24-14-17-9-5-4-8-16(17)13-23-19(21-2)22-12-15-7-6-10-18(20)11-15/h4-11H,3,12-14H2,1-2H3,(H2,21,22,23)
InChIKeyKVSFZJCFNHWHKE-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.23
Rot. Bonds7

About 1-[[2-(ethoxymethyl)phenyl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine

1-[[2-(ethoxymethyl)phenyl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine (PubChem CID 111876309) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-[[2-(ethoxymethyl)phenyl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[[2-(ethoxymethyl)phenyl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine
PubChem CID111876309
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name1-[[2-(ethoxymethyl)phenyl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine
SMILESCCOCc1ccccc1CN/C(=N/C)NCc1cccc(F)c1
InChIInChI=1S/C19H24FN3O/c1-3-24-14-17-9-5-4-8-16(17)13-23-19(21-2)22-12-15-7-6-10-18(20)11-15/h4-11H,3,12-14H2,1-2H3,(H2,21,22,23)
InChIKeyKVSFZJCFNHWHKE-UHFFFAOYSA-N
XLogP3.23
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(3-fluorophenyl)ethyl]-2-methyl-3-[[2-(propoxymethyl)phenyl]methyl]guanidine
CID 111396163
1-benzyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 110954919
1-[(3-fluorophenyl)methyl]-2-methyl-3-[(2-prop-2-enoxyphenyl)methyl]guanidine;hydroiodide
CID 111556627
1-[(2-chlorophenyl)methyl]-3-[[2-(ethoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111175620
1-[2-(2-chlorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111876778
1-[(2,5-difluorophenyl)methyl]-3-[[4-(ethoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111903242
1-butyl-3-[[2-(ethoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111152177
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111250544
1-[2-(3-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111394826
1-[(2,4-dimethylphenyl)methyl]-3-[[2-(ethoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111937556
1-[(3-fluorophenyl)methyl]-2-methyl-3-[(3-methylphenyl)methyl]guanidine
CID 111877635
1-[(3-fluorophenyl)methyl]-2-methyl-3-pentylguanidine;hydroiodide
CID 111128366

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethoxymethyl)phenyl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine?
The IUPAC name of 1-[[2-(ethoxymethyl)phenyl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine (CID 111876309) is 1-[[2-(ethoxymethyl)phenyl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-[[2-(ethoxymethyl)phenyl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine?
The canonical SMILES for 1-[[2-(ethoxymethyl)phenyl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine is CCOCc1ccccc1CN/C(=N/C)NCc1cccc(F)c1.
What is the InChIKey of 1-[[2-(ethoxymethyl)phenyl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine?
The InChIKey is KVSFZJCFNHWHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-3-24-14-17-9-5-4-8-16(17)13-23-19(21-2)22-12-15-7-6-10-18(20)11-15/h4-11H,3,12-14H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[[2-(ethoxymethyl)phenyl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine?
1-[[2-(ethoxymethyl)phenyl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine has a molecular weight of 329.42 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethoxymethyl)phenyl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine is sourced from PubChem (CID 111876309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).