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

C18H22FN3 — CID 110949054

IUPAC1-ethyl-2-[(2-fluorophenyl)methyl]-3-(1-phenylethyl)guanidine
SMILESCCN/C(=N\Cc1ccccc1F)NC(C)c1ccccc1
InChIInChI=1S/C18H22FN3/c1-3-20-18(21-13-16-11-7-8-12-17(16)19)22-14(2)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H2,20,21,22)
InChIKeySVKCNAGZOADOJM-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.64
Rot. Bonds5

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

1-ethyl-2-[(2-fluorophenyl)methyl]-3-(1-phenylethyl)guanidine (PubChem CID 110949054) has the molecular formula C18H22FN3 and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-ethyl-2-[(2-fluorophenyl)methyl]-3-(1-phenylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(2-fluorophenyl)methyl]-3-(1-phenylethyl)guanidine
PubChem CID110949054
Molecular FormulaC18H22FN3
Molecular Weight299.39 g/mol
Exact Mass299.18
IUPAC Name1-ethyl-2-[(2-fluorophenyl)methyl]-3-(1-phenylethyl)guanidine
SMILESCCN/C(=N\Cc1ccccc1F)NC(C)c1ccccc1
InChIInChI=1S/C18H22FN3/c1-3-20-18(21-13-16-11-7-8-12-17(16)19)22-14(2)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H2,20,21,22)
InChIKeySVKCNAGZOADOJM-UHFFFAOYSA-N
XLogP3.64
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.64
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

2-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-3-(1-phenylethyl)guanidine
CID 110950016
2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948673
1-ethyl-2-[(2-nitrophenyl)methyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110949193
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-[(2-fluorophenyl)methyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 111541643
1-ethyl-2-[(2-fluorophenyl)methyl]-3-(3-methylbutyl)guanidine
CID 110978267
1-ethyl-3-(1-phenylethyl)-2-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine
CID 110948392
2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948137
1-ethyl-2-[(2-fluorophenyl)methyl]-3-(3-hydroxy-2-methylpropyl)guanidine
CID 111267053
1-ethyl-2-[(2-fluorophenyl)methyl]-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]guanidine;hydroiodide
CID 111829820
1-ethyl-2-methyl-3-(1-phenylethyl)guanidine
CID 110948658
1-ethyl-2-[(5-methylthiophen-2-yl)methyl]-3-(1-phenylethyl)guanidine
CID 110950242
1-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)guanidine;hydroiodide
CID 111265362

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2-fluorophenyl)methyl]-3-(1-phenylethyl)guanidine?
The IUPAC name of 1-ethyl-2-[(2-fluorophenyl)methyl]-3-(1-phenylethyl)guanidine (CID 110949054) is 1-ethyl-2-[(2-fluorophenyl)methyl]-3-(1-phenylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(2-fluorophenyl)methyl]-3-(1-phenylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[(2-fluorophenyl)methyl]-3-(1-phenylethyl)guanidine is CCN/C(=N\Cc1ccccc1F)NC(C)c1ccccc1.
What is the InChIKey of 1-ethyl-2-[(2-fluorophenyl)methyl]-3-(1-phenylethyl)guanidine?
The InChIKey is SVKCNAGZOADOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3/c1-3-20-18(21-13-16-11-7-8-12-17(16)19)22-14(2)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-[(2-fluorophenyl)methyl]-3-(1-phenylethyl)guanidine?
1-ethyl-2-[(2-fluorophenyl)methyl]-3-(1-phenylethyl)guanidine has a molecular weight of 299.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2-fluorophenyl)methyl]-3-(1-phenylethyl)guanidine is sourced from PubChem (CID 110949054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).