1-[3-methyl-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)pentan-1-imine

C21H24F3N — CID 58900712

IUPAC1-[3-methyl-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)pentan-1-imine
SMILESCCCC/C(=N\C(C)c1ccccc1)c1cc(C)cc(C(F)(F)F)c1
InChIInChI=1S/C21H24F3N/c1-4-5-11-20(25-16(3)17-9-7-6-8-10-17)18-12-15(2)13-19(14-18)21(22,23)24/h6-10,12-14,16H,4-5,11H2,1-3H3/b25-20+
InChIKeyOGLVJLKAHLQHBF-LKUDQCMESA-N
MW347.42 g/mol
LogP6.75
Rot. Bonds6

About 1-[3-methyl-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)pentan-1-imine

1-[3-methyl-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)pentan-1-imine (PubChem CID 58900712) has the molecular formula C21H24F3N and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[3-methyl-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)pentan-1-imine.

Molecular Properties

Compound Name1-[3-methyl-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)pentan-1-imine
PubChem CID58900712
Molecular FormulaC21H24F3N
Molecular Weight347.42 g/mol
Exact Mass347.19
IUPAC Name1-[3-methyl-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)pentan-1-imine
SMILESCCCC/C(=N\C(C)c1ccccc1)c1cc(C)cc(C(F)(F)F)c1
InChIInChI=1S/C21H24F3N/c1-4-5-11-20(25-16(3)17-9-7-6-8-10-17)18-12-15(2)13-19(14-18)21(22,23)24/h6-10,12-14,16H,4-5,11H2,1-3H3/b25-20+
InChIKeyOGLVJLKAHLQHBF-LKUDQCMESA-N
XLogP6.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.42
LogP ≤ 56.75
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-(1-phenylethyl)pentan-1-imine?
The IUPAC name of 1-[3-methyl-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)pentan-1-imine (CID 58900712) is 1-[3-methyl-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)pentan-1-imine.
What is the SMILES notation for 1-[3-methyl-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)pentan-1-imine?
The canonical SMILES for 1-[3-methyl-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)pentan-1-imine is CCCC/C(=N\C(C)c1ccccc1)c1cc(C)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-methyl-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)pentan-1-imine?
The InChIKey is OGLVJLKAHLQHBF-LKUDQCMESA-N. The full InChI is InChI=1S/C21H24F3N/c1-4-5-11-20(25-16(3)17-9-7-6-8-10-17)18-12-15(2)13-19(14-18)21(22,23)24/h6-10,12-14,16H,4-5,11H2,1-3H3/b25-20+.
What are the key properties of 1-[3-methyl-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)pentan-1-imine?
1-[3-methyl-5-(trifluoromethyl)phenyl]-N-(1-phenylethyl)pentan-1-imine has a molecular weight of 347.42 g/mol, XLogP of 6.75, 6 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-(1-phenylethyl)pentan-1-imine is sourced from PubChem (CID 58900712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).