1-(3-ethylphenyl)-2-(2,4,5-trifluorophenyl)guanidine

C15H14F3N3 — CID 139704563

IUPAC1-(3-ethylphenyl)-2-(2,4,5-trifluorophenyl)guanidine
SMILESCCc1cccc(N/C(N)=N/c2cc(F)c(F)cc2F)c1
InChIInChI=1S/C15H14F3N3/c1-2-9-4-3-5-10(6-9)20-15(19)21-14-8-12(17)11(16)7-13(14)18/h3-8H,2H2,1H3,(H3,19,20,21)
InChIKeyUVTYGYGSESIEAU-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.72
Rot. Bonds3

About 1-(3-ethylphenyl)-2-(2,4,5-trifluorophenyl)guanidine

1-(3-ethylphenyl)-2-(2,4,5-trifluorophenyl)guanidine (PubChem CID 139704563) has the molecular formula C15H14F3N3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-2-(2,4,5-trifluorophenyl)guanidine.

Molecular Properties

Compound Name1-(3-ethylphenyl)-2-(2,4,5-trifluorophenyl)guanidine
PubChem CID139704563
Molecular FormulaC15H14F3N3
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name1-(3-ethylphenyl)-2-(2,4,5-trifluorophenyl)guanidine
SMILESCCc1cccc(N/C(N)=N/c2cc(F)c(F)cc2F)c1
InChIInChI=1S/C15H14F3N3/c1-2-9-4-3-5-10(6-9)20-15(19)21-14-8-12(17)11(16)7-13(14)18/h3-8H,2H2,1H3,(H3,19,20,21)
InChIKeyUVTYGYGSESIEAU-UHFFFAOYSA-N
XLogP3.72
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine
CID 10587917
1-(3-ethylphenyl)-2-(7-fluoronaphthalen-1-yl)guanidine
CID 18751798
2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
CID 45265059
2-(2-chloro-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
CID 45262109
2-[2-chloro-5-(trifluoromethyl)thiophen-3-yl]-1-(3-ethylphenyl)guanidine
CID 174348474
1-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]guanidine
CID 18751640
1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 111035398
1-(3-ethylphenyl)-2-[3-(trifluoromethylsulfanyl)phenyl]guanidine
CID 54391573
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 111028356
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111089416
3-ethyl-N-[1-(methylideneamino)ethenyl]aniline
CID 143798089
1-(3-ethylphenyl)-2-[2-(2-fluorophenyl)cyclopropyl]guanidine
CID 111101053

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-2-(2,4,5-trifluorophenyl)guanidine?
The IUPAC name of 1-(3-ethylphenyl)-2-(2,4,5-trifluorophenyl)guanidine (CID 139704563) is 1-(3-ethylphenyl)-2-(2,4,5-trifluorophenyl)guanidine.
What is the SMILES notation for 1-(3-ethylphenyl)-2-(2,4,5-trifluorophenyl)guanidine?
The canonical SMILES for 1-(3-ethylphenyl)-2-(2,4,5-trifluorophenyl)guanidine is CCc1cccc(N/C(N)=N/c2cc(F)c(F)cc2F)c1.
What is the InChIKey of 1-(3-ethylphenyl)-2-(2,4,5-trifluorophenyl)guanidine?
The InChIKey is UVTYGYGSESIEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3/c1-2-9-4-3-5-10(6-9)20-15(19)21-14-8-12(17)11(16)7-13(14)18/h3-8H,2H2,1H3,(H3,19,20,21).
What are the key properties of 1-(3-ethylphenyl)-2-(2,4,5-trifluorophenyl)guanidine?
1-(3-ethylphenyl)-2-(2,4,5-trifluorophenyl)guanidine has a molecular weight of 293.29 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-2-(2,4,5-trifluorophenyl)guanidine is sourced from PubChem (CID 139704563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).