4-(2-{(5-Ethylpyrimidin-2-yl)[4-(trifluoromethyl)benzyl]amino}ethyl)-2-methylphenol

HCID 59643136
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Basic information

Standard SMILES
CCc1cnc(N(CCc2ccc(O)c(C)c2)Cc2ccc(C(F)(F)F)cc2)nc1
InChIKey
QJCCWFVUYFWDDK-UHFFFAOYSA-N
Molecular formula
C23H24F3N3O
Average molar mass
415.5 g/mol
Monoisotopic mass
415.18714688

Names & identifiers

Preferred name
4-(2-{(5-Ethylpyrimidin-2-yl)[4-(trifluoromethyl)benzyl]amino}ethyl)-2-methylphenol
IUPAC
4-[2-[(5-ethylpyrimidin-2-yl)-[[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]-2-methylphenol

Names & synonyms

4-(2-{(5-Ethylpyrimidin-2-yl)[4-(trifluoromethyl)benzyl]amino}ethyl)-2-methylphenolSCHEMBL4575413

Database identifiers

PubChem CID
59643136

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
49.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
30

Related reactions

1 records
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Compound notes

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