N-ethyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine

C15H18F3N3 — CID 79971788

IUPACN-ethyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
SMILESCCNCCc1cn(Cc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C15H18F3N3/c1-2-19-8-7-14-10-21(11-20-14)9-12-3-5-13(6-4-12)15(16,17)18/h3-6,10-11,19H,2,7-9H2,1H3
InChIKeyVRPPJGWYLFQGNA-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.10
Rot. Bonds6

About N-ethyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine

N-ethyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine (PubChem CID 79971788) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-ethyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
PubChem CID79971788
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC NameN-ethyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
SMILESCCNCCc1cn(Cc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C15H18F3N3/c1-2-19-8-7-14-10-21(11-20-14)9-12-3-5-13(6-4-12)15(16,17)18/h3-6,10-11,19H,2,7-9H2,1H3
InChIKeyVRPPJGWYLFQGNA-UHFFFAOYSA-N
XLogP3.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine?
The IUPAC name of N-ethyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine (CID 79971788) is N-ethyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine is CCNCCc1cn(Cc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of N-ethyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine?
The InChIKey is VRPPJGWYLFQGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-2-19-8-7-14-10-21(11-20-14)9-12-3-5-13(6-4-12)15(16,17)18/h3-6,10-11,19H,2,7-9H2,1H3.
What are the key properties of N-ethyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine?
N-ethyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine has a molecular weight of 297.32 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 79971788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).