2,3-diethyl-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine

C14H20F3N3 — CID 111299563

IUPAC2,3-diethyl-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine
SMILESCC/N=C(\NCC)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H20F3N3/c1-4-18-13(19-5-2)20(3)10-11-6-8-12(9-7-11)14(15,16)17/h6-9H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyISZCKMGXVVTLEK-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.12
Rot. Bonds4

About 2,3-diethyl-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine

2,3-diethyl-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine (PubChem CID 111299563) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2,3-diethyl-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name2,3-diethyl-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine
PubChem CID111299563
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name2,3-diethyl-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine
SMILESCC/N=C(\NCC)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H20F3N3/c1-4-18-13(19-5-2)20(3)10-11-6-8-12(9-7-11)14(15,16)17/h6-9H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyISZCKMGXVVTLEK-UHFFFAOYSA-N
XLogP3.12
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3-diethyl-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-1-methyl-2-prop-2-ynyl-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111300216
4-[[[ethylamino-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111299778
1-[(4-bromophenyl)methyl]-2,3-diethyl-1-methylguanidine
CID 111292777
2,3-diethyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 111288888
methyl 3-[[ethylamino-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methylidene]amino]-2-methylpropanoate
CID 111299929
3-ethyl-1-methyl-2-[(2-methylpyrazol-3-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111299837
3-ethyl-1-methyl-2-(2-morpholin-4-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111300149
2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethyl-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111500829
1,2,3-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111299561
3-ethyl-2-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111299611
3-ethyl-1-methyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111300166
3-ethyl-1-methyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111299608

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine?
The IUPAC name of 2,3-diethyl-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine (CID 111299563) is 2,3-diethyl-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine.
What is the SMILES notation for 2,3-diethyl-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine?
The canonical SMILES for 2,3-diethyl-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine is CC/N=C(\NCC)N(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,3-diethyl-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine?
The InChIKey is ISZCKMGXVVTLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-4-18-13(19-5-2)20(3)10-11-6-8-12(9-7-11)14(15,16)17/h6-9H,4-5,10H2,1-3H3,(H,18,19).
What are the key properties of 2,3-diethyl-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine?
2,3-diethyl-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine has a molecular weight of 287.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine is sourced from PubChem (CID 111299563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).