1-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-phenylethyl]ethanimine

C18H15F6N — CID 24890559

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-phenylethyl]ethanimine
SMILESC/C(=N\[C@H](C)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H15F6N/c1-11(13-6-4-3-5-7-13)25-12(2)14-8-15(17(19,20)21)10-16(9-14)18(22,23)24/h3-11H,1-2H3/b25-12+/t11-/m1/s1
InChIKeyHAUDLOVNWUELPH-AZFWPXOISA-N
MW359.31 g/mol
LogP6.29
Rot. Bonds3

About 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-phenylethyl]ethanimine

1-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-phenylethyl]ethanimine (PubChem CID 24890559) has the molecular formula C18H15F6N and a molecular weight of 359.31 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-phenylethyl]ethanimine.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-phenylethyl]ethanimine
PubChem CID24890559
Molecular FormulaC18H15F6N
Molecular Weight359.31 g/mol
Exact Mass359.11
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-phenylethyl]ethanimine
SMILESC/C(=N\[C@H](C)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H15F6N/c1-11(13-6-4-3-5-7-13)25-12(2)14-8-15(17(19,20)21)10-16(9-14)18(22,23)24/h3-11H,1-2H3/b25-12+/t11-/m1/s1
InChIKeyHAUDLOVNWUELPH-AZFWPXOISA-N
XLogP6.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.31
LogP ≤ 56.29
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-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-phenylethyl]ethanimine?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-phenylethyl]ethanimine (CID 24890559) is 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-phenylethyl]ethanimine.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-phenylethyl]ethanimine?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-phenylethyl]ethanimine is C/C(=N\[C@H](C)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-phenylethyl]ethanimine?
The InChIKey is HAUDLOVNWUELPH-AZFWPXOISA-N. The full InChI is InChI=1S/C18H15F6N/c1-11(13-6-4-3-5-7-13)25-12(2)14-8-15(17(19,20)21)10-16(9-14)18(22,23)24/h3-11H,1-2H3/b25-12+/t11-/m1/s1.
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-phenylethyl]ethanimine?
1-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-phenylethyl]ethanimine has a molecular weight of 359.31 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-phenylethyl]ethanimine is sourced from PubChem (CID 24890559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).