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

C15H24FN3 — CID 110978267

IUPAC1-ethyl-2-[(2-fluorophenyl)methyl]-3-(3-methylbutyl)guanidine
SMILESCCN/C(=N\Cc1ccccc1F)NCCC(C)C
InChIInChI=1S/C15H24FN3/c1-4-17-15(18-10-9-12(2)3)19-11-13-7-5-6-8-14(13)16/h5-8,12H,4,9-11H2,1-3H3,(H2,17,18,19)
InChIKeyAMZNTFWYOSXQCR-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.93
Rot. Bonds6

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

1-ethyl-2-[(2-fluorophenyl)methyl]-3-(3-methylbutyl)guanidine (PubChem CID 110978267) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-ethyl-2-[(2-fluorophenyl)methyl]-3-(3-methylbutyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(2-fluorophenyl)methyl]-3-(3-methylbutyl)guanidine
PubChem CID110978267
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name1-ethyl-2-[(2-fluorophenyl)methyl]-3-(3-methylbutyl)guanidine
SMILESCCN/C(=N\Cc1ccccc1F)NCCC(C)C
InChIInChI=1S/C15H24FN3/c1-4-17-15(18-10-9-12(2)3)19-11-13-7-5-6-8-14(13)16/h5-8,12H,4,9-11H2,1-3H3,(H2,17,18,19)
InChIKeyAMZNTFWYOSXQCR-UHFFFAOYSA-N
XLogP2.93
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.93
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-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)guanidine;hydroiodide
CID 111265362
1-ethyl-2-[(2-fluorophenyl)methyl]-3-(3-hydroxy-2-methylpropyl)guanidine
CID 111267053
1-ethyl-2-[(2-fluorophenyl)methyl]-3-(4-methylsulfanylbutyl)guanidine
CID 111626038
1-[3-(diethylamino)propyl]-3-ethyl-2-[(2-fluorophenyl)methyl]guanidine
CID 111266619
1-ethyl-3-(3-methylbutyl)-2-[(2-nitrophenyl)methyl]guanidine;hydroiodide
CID 110978402
1-ethyl-2-[(2-fluorophenyl)methyl]-3-(1-phenylethyl)guanidine
CID 110949054
1-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylbutyl)guanidine;hydroiodide
CID 110978244
2-chloro-N-[2-[[N-ethyl-N'-[(2-fluorophenyl)methyl]carbamimidoyl]amino]ethyl]benzamide
CID 111265729
1-(4-ethoxybutyl)-3-ethyl-2-[(2-fluorophenyl)methyl]guanidine;hydroiodide
CID 111264882
1-ethyl-2-[(2-fluorophenyl)methyl]-3-[2-(2-hydroxyethyl)pentyl]guanidine
CID 111712623
1-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111193324
1-ethyl-3-[2-(3-fluorophenyl)ethyl]-2-[(2-fluorophenyl)methyl]guanidine;hydroiodide
CID 111265832

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2-fluorophenyl)methyl]-3-(3-methylbutyl)guanidine?
The IUPAC name of 1-ethyl-2-[(2-fluorophenyl)methyl]-3-(3-methylbutyl)guanidine (CID 110978267) is 1-ethyl-2-[(2-fluorophenyl)methyl]-3-(3-methylbutyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(2-fluorophenyl)methyl]-3-(3-methylbutyl)guanidine?
The canonical SMILES for 1-ethyl-2-[(2-fluorophenyl)methyl]-3-(3-methylbutyl)guanidine is CCN/C(=N\Cc1ccccc1F)NCCC(C)C.
What is the InChIKey of 1-ethyl-2-[(2-fluorophenyl)methyl]-3-(3-methylbutyl)guanidine?
The InChIKey is AMZNTFWYOSXQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-4-17-15(18-10-9-12(2)3)19-11-13-7-5-6-8-14(13)16/h5-8,12H,4,9-11H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-ethyl-2-[(2-fluorophenyl)methyl]-3-(3-methylbutyl)guanidine?
1-ethyl-2-[(2-fluorophenyl)methyl]-3-(3-methylbutyl)guanidine has a molecular weight of 265.38 g/mol, XLogP of 2.93, 6 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-(3-methylbutyl)guanidine is sourced from PubChem (CID 110978267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).