2-ethyl-N-[(3,4,5-trifluorophenyl)methyl]aniline

C15H14F3N — CID 63052031

IUPAC2-ethyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
SMILESCCc1ccccc1NCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H14F3N/c1-2-11-5-3-4-6-14(11)19-9-10-7-12(16)15(18)13(17)8-10/h3-8,19H,2,9H2,1H3
InChIKeyKDIHITQFZUPREF-UHFFFAOYSA-N
MW265.28 g/mol
LogP4.28
Rot. Bonds4

About 2-ethyl-N-[(3,4,5-trifluorophenyl)methyl]aniline

2-ethyl-N-[(3,4,5-trifluorophenyl)methyl]aniline (PubChem CID 63052031) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-ethyl-N-[(3,4,5-trifluorophenyl)methyl]aniline.

Molecular Properties

Compound Name2-ethyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
PubChem CID63052031
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name2-ethyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
SMILESCCc1ccccc1NCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H14F3N/c1-2-11-5-3-4-6-14(11)19-9-10-7-12(16)15(18)13(17)8-10/h3-8,19H,2,9H2,1H3
InChIKeyKDIHITQFZUPREF-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-ethyl-N-[(3,4,5-trifluorophenyl)methyl]aniline 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

2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 55244992
N-[(3,5-dichlorophenyl)methyl]-2-ethylaniline
CID 54920225
2-ethylsulfanyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63050545
N-[(2-ethylphenyl)methyl]-3,4,5-trifluoroaniline
CID 55118736
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
2-[2-[(3,4-difluorophenyl)methylamino]phenyl]-N-methylacetamide
CID 43692182
N-[[3-(difluoromethyl)phenyl]methyl]-2-ethylaniline
CID 115525983
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline
CID 106263151
4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol
CID 79832570
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-ethylaniline
CID 126121520
N-[(3-fluoro-4-methylphenyl)methyl]-2-propylaniline
CID 63645034
2-[2-[(4-bromo-3-fluorophenyl)methylamino]phenyl]-N-methylacetamide
CID 81432064

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3,4,5-trifluorophenyl)methyl]aniline?
The IUPAC name of 2-ethyl-N-[(3,4,5-trifluorophenyl)methyl]aniline (CID 63052031) is 2-ethyl-N-[(3,4,5-trifluorophenyl)methyl]aniline.
What is the SMILES notation for 2-ethyl-N-[(3,4,5-trifluorophenyl)methyl]aniline?
The canonical SMILES for 2-ethyl-N-[(3,4,5-trifluorophenyl)methyl]aniline is CCc1ccccc1NCc1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-ethyl-N-[(3,4,5-trifluorophenyl)methyl]aniline?
The InChIKey is KDIHITQFZUPREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-2-11-5-3-4-6-14(11)19-9-10-7-12(16)15(18)13(17)8-10/h3-8,19H,2,9H2,1H3.
What are the key properties of 2-ethyl-N-[(3,4,5-trifluorophenyl)methyl]aniline?
2-ethyl-N-[(3,4,5-trifluorophenyl)methyl]aniline has a molecular weight of 265.28 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3,4,5-trifluorophenyl)methyl]aniline is sourced from PubChem (CID 63052031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).