N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1-pyrrolidin-2-ylethanimine

C15H19F3N2 — CID 123256396

IUPACN-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1-pyrrolidin-2-ylethanimine
SMILESC/C(=N\Cc1ccc(C)c(C(F)(F)F)c1)C1CCCN1
InChIInChI=1S/C15H19F3N2/c1-10-5-6-12(8-13(10)15(16,17)18)9-20-11(2)14-4-3-7-19-14/h5-6,8,14,19H,3-4,7,9H2,1-2H3/b20-11+
InChIKeyCXZNEVLEKDNWRZ-RGVLZGJSSA-N
MW284.32 g/mol
LogP3.73
Rot. Bonds3

About N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1-pyrrolidin-2-ylethanimine

N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1-pyrrolidin-2-ylethanimine (PubChem CID 123256396) has the molecular formula C15H19F3N2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1-pyrrolidin-2-ylethanimine.

Molecular Properties

Compound NameN-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1-pyrrolidin-2-ylethanimine
PubChem CID123256396
Molecular FormulaC15H19F3N2
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC NameN-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1-pyrrolidin-2-ylethanimine
SMILESC/C(=N\Cc1ccc(C)c(C(F)(F)F)c1)C1CCCN1
InChIInChI=1S/C15H19F3N2/c1-10-5-6-12(8-13(10)15(16,17)18)9-20-11(2)14-4-3-7-19-14/h5-6,8,14,19H,3-4,7,9H2,1-2H3/b20-11+
InChIKeyCXZNEVLEKDNWRZ-RGVLZGJSSA-N
XLogP3.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1-pyrrolidin-2-ylethanimine 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-[4-(Trifluoromethyl)phenyl]pyrrolidine
CID 3701153
2-[3-(Trifluoromethyl)phenyl]pyrrolidine
CID 3464230
2-(2,5-Dimethylphenyl)pyrrolidine
CID 4715076
2-(3,4-Dimethylphenyl)pyrrolidine
CID 4715235
2-(2-(Trifluoromethyl)phenyl)pyrrolidine hydrochloride
CID 17998803
2-(2,3-Dimethylphenyl)pyrrolidine
CID 20112844
2-(2,6-Dimethylphenyl)pyrrolidine
CID 55296385
3-Methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 3540131
2,2-difluoro-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 115406014
2-[2-(Trifluoromethyl)phenyl]pyrrolidine
CID 3813474
4-Methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 4032394
(2S)-2-[4-(Trifluoromethyl)phenyl]pyrrolidine
CID 7009378

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1-pyrrolidin-2-ylethanimine?
The IUPAC name of N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1-pyrrolidin-2-ylethanimine (CID 123256396) is N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1-pyrrolidin-2-ylethanimine.
What is the SMILES notation for N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1-pyrrolidin-2-ylethanimine?
The canonical SMILES for N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1-pyrrolidin-2-ylethanimine is C/C(=N\Cc1ccc(C)c(C(F)(F)F)c1)C1CCCN1.
What is the InChIKey of N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1-pyrrolidin-2-ylethanimine?
The InChIKey is CXZNEVLEKDNWRZ-RGVLZGJSSA-N. The full InChI is InChI=1S/C15H19F3N2/c1-10-5-6-12(8-13(10)15(16,17)18)9-20-11(2)14-4-3-7-19-14/h5-6,8,14,19H,3-4,7,9H2,1-2H3/b20-11+.
What are the key properties of N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1-pyrrolidin-2-ylethanimine?
N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1-pyrrolidin-2-ylethanimine has a molecular weight of 284.32 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1-pyrrolidin-2-ylethanimine is sourced from PubChem (CID 123256396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).