1-[(4-fluorophenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine

C17H20FN3 — CID 110949028

IUPAC1-[(4-fluorophenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine
SMILESC/N=C(/NCc1ccc(F)cc1)NC(C)c1ccccc1
InChIInChI=1S/C17H20FN3/c1-13(15-6-4-3-5-7-15)21-17(19-2)20-12-14-8-10-16(18)11-9-14/h3-11,13H,12H2,1-2H3,(H2,19,20,21)
InChIKeyJRYAUFYNCDDJQY-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.25
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine

1-[(4-fluorophenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine (PubChem CID 110949028) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine
PubChem CID110949028
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name1-[(4-fluorophenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine
SMILESC/N=C(/NCc1ccc(F)cc1)NC(C)c1ccccc1
InChIInChI=1S/C17H20FN3/c1-13(15-6-4-3-5-7-15)21-17(19-2)20-12-14-8-10-16(18)11-9-14/h3-11,13H,12H2,1-2H3,(H2,19,20,21)
InChIKeyJRYAUFYNCDDJQY-UHFFFAOYSA-N
XLogP3.25
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-benzyl-2-methyl-3-[(1S)-1-phenylethyl]guanidine
CID 95761097
2-methyl-1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1-phenylethyl)guanidine
CID 110949090
1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine
CID 111545893
2-(4-fluorophenyl)-N-[2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 110948847
1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
CID 51290878
N-[(4-fluorophenyl)methyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2201157
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)oxamide
CID 2951597
2-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(1-phenylethyl)guanidine
CID 110948634
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948075
1-ethyl-2-methyl-3-(1-phenylethyl)guanidine
CID 110948658
2-methyl-1-(1-phenylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 110949282
1-[(6-chloro-3-pyridinyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110950095

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine (CID 110949028) is 1-[(4-fluorophenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine is C/N=C(/NCc1ccc(F)cc1)NC(C)c1ccccc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine?
The InChIKey is JRYAUFYNCDDJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c1-13(15-6-4-3-5-7-15)21-17(19-2)20-12-14-8-10-16(18)11-9-14/h3-11,13H,12H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[(4-fluorophenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine?
1-[(4-fluorophenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine has a molecular weight of 285.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine is sourced from PubChem (CID 110949028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).