1-[3-methyl-5-(trifluoromethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine

C18H18F3N — CID 59906763

IUPAC1-[3-methyl-5-(trifluoromethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine
SMILESC/C(=N\[C@@H](C)c1ccccc1)c1cc(C)cc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3N/c1-12-9-16(11-17(10-12)18(19,20)21)14(3)22-13(2)15-7-5-4-6-8-15/h4-11,13H,1-3H3/b22-14+/t13-/m0/s1
InChIKeyQLHBKFSFGJMYTE-MDUHSQENSA-N
MW305.34 g/mol
LogP5.58
Rot. Bonds3

About 1-[3-methyl-5-(trifluoromethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine

1-[3-methyl-5-(trifluoromethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine (PubChem CID 59906763) has the molecular formula C18H18F3N and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-[3-methyl-5-(trifluoromethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine.

Molecular Properties

Compound Name1-[3-methyl-5-(trifluoromethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine
PubChem CID59906763
Molecular FormulaC18H18F3N
Molecular Weight305.34 g/mol
Exact Mass305.14
IUPAC Name1-[3-methyl-5-(trifluoromethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine
SMILESC/C(=N\[C@@H](C)c1ccccc1)c1cc(C)cc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3N/c1-12-9-16(11-17(10-12)18(19,20)21)14(3)22-13(2)15-7-5-4-6-8-15/h4-11,13H,1-3H3/b22-14+/t13-/m0/s1
InChIKeyQLHBKFSFGJMYTE-MDUHSQENSA-N
XLogP5.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.34
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-(trifluoromethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine?
The IUPAC name of 1-[3-methyl-5-(trifluoromethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine (CID 59906763) is 1-[3-methyl-5-(trifluoromethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine.
What is the SMILES notation for 1-[3-methyl-5-(trifluoromethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine?
The canonical SMILES for 1-[3-methyl-5-(trifluoromethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine is C/C(=N\[C@@H](C)c1ccccc1)c1cc(C)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-methyl-5-(trifluoromethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine?
The InChIKey is QLHBKFSFGJMYTE-MDUHSQENSA-N. The full InChI is InChI=1S/C18H18F3N/c1-12-9-16(11-17(10-12)18(19,20)21)14(3)22-13(2)15-7-5-4-6-8-15/h4-11,13H,1-3H3/b22-14+/t13-/m0/s1.
What are the key properties of 1-[3-methyl-5-(trifluoromethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine?
1-[3-methyl-5-(trifluoromethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine has a molecular weight of 305.34 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-(trifluoromethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine is sourced from PubChem (CID 59906763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).