N-[(1R)-1-phenylethyl]-1-[4-(trifluoromethyl)phenyl]ethanimine

C17H16F3N — CID 11779029

IUPACN-[(1R)-1-phenylethyl]-1-[4-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\[C@H](C)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3N/c1-12(14-6-4-3-5-7-14)21-13(2)15-8-10-16(11-9-15)17(18,19)20/h3-12H,1-2H3/b21-13+/t12-/m1/s1
InChIKeyYLQYNSHINTVQPS-JLKNBBFOSA-N
MW291.32 g/mol
LogP5.28
Rot. Bonds3

About N-[(1R)-1-phenylethyl]-1-[4-(trifluoromethyl)phenyl]ethanimine

N-[(1R)-1-phenylethyl]-1-[4-(trifluoromethyl)phenyl]ethanimine (PubChem CID 11779029) has the molecular formula C17H16F3N and a molecular weight of 291.32 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-1-[4-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-1-[4-(trifluoromethyl)phenyl]ethanimine
PubChem CID11779029
Molecular FormulaC17H16F3N
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC NameN-[(1R)-1-phenylethyl]-1-[4-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\[C@H](C)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3N/c1-12(14-6-4-3-5-7-14)21-13(2)15-8-10-16(11-9-15)17(18,19)20/h3-12H,1-2H3/b21-13+/t12-/m1/s1
InChIKeyYLQYNSHINTVQPS-JLKNBBFOSA-N
XLogP5.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.32
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-phenylethyl]-1-[4-(trifluoromethyl)phenyl]ethanimine 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-[(1R)-1-phenylethyl]-1-[4-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of N-[(1R)-1-phenylethyl]-1-[4-(trifluoromethyl)phenyl]ethanimine (CID 11779029) is N-[(1R)-1-phenylethyl]-1-[4-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-1-[4-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for N-[(1R)-1-phenylethyl]-1-[4-(trifluoromethyl)phenyl]ethanimine is C/C(=N\[C@H](C)c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-1-[4-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is YLQYNSHINTVQPS-JLKNBBFOSA-N. The full InChI is InChI=1S/C17H16F3N/c1-12(14-6-4-3-5-7-14)21-13(2)15-8-10-16(11-9-15)17(18,19)20/h3-12H,1-2H3/b21-13+/t12-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-1-[4-(trifluoromethyl)phenyl]ethanimine?
N-[(1R)-1-phenylethyl]-1-[4-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 291.32 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-1-[4-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 11779029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).