5-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-propan-2-ylphenol

C20H24F3NO — CID 7911459

IUPAC5-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-propan-2-ylphenol
SMILESCc1cc(O)c(CN(C)Cc2ccc(C(F)(F)F)cc2)cc1C(C)C
InChIInChI=1S/C20H24F3NO/c1-13(2)18-10-16(19(25)9-14(18)3)12-24(4)11-15-5-7-17(8-6-15)20(21,22)23/h5-10,13,25H,11-12H2,1-4H3
InChIKeyGZGPSQGGTDREMT-UHFFFAOYSA-N
MW351.41 g/mol
LogP5.47
Rot. Bonds5

About 5-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-propan-2-ylphenol

5-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-propan-2-ylphenol (PubChem CID 7911459) has the molecular formula C20H24F3NO and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-propan-2-ylphenol.

Molecular Properties

Compound Name5-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-propan-2-ylphenol
PubChem CID7911459
Molecular FormulaC20H24F3NO
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name5-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-propan-2-ylphenol
SMILESCc1cc(O)c(CN(C)Cc2ccc(C(F)(F)F)cc2)cc1C(C)C
InChIInChI=1S/C20H24F3NO/c1-13(2)18-10-16(19(25)9-14(18)3)12-24(4)11-15-5-7-17(8-6-15)20(21,22)23/h5-10,13,25H,11-12H2,1-4H3
InChIKeyGZGPSQGGTDREMT-UHFFFAOYSA-N
XLogP5.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 570902
2-methyl-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoic acid
CID 55031151
N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 42540672
4-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)phenol
CID 82977713
1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)benzene
CID 167049064
ethane;2-propan-2-yl-5-(trifluoromethyl)phenol
CID 177136292
N'-methyl-N-(2-methylpropyl)-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 62593658
4-[[(2-hydroxy-5-methylphenyl)methyl-methylamino]methyl]benzoic acid
CID 65056262
ethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
CID 60690805
2-[[[2-bromo-5-(trifluoromethyl)phenyl]methyl-methylamino]methyl]phenol
CID 72722956
2-[[2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4,5-dimethylphenol
CID 15906156
2-methyl-4-(trifluoromethyl)phenol;hydrochloride
CID 172689490

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-propan-2-ylphenol?
The IUPAC name of 5-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-propan-2-ylphenol (CID 7911459) is 5-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-propan-2-ylphenol.
What is the SMILES notation for 5-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-propan-2-ylphenol?
The canonical SMILES for 5-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-propan-2-ylphenol is Cc1cc(O)c(CN(C)Cc2ccc(C(F)(F)F)cc2)cc1C(C)C.
What is the InChIKey of 5-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-propan-2-ylphenol?
The InChIKey is GZGPSQGGTDREMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3NO/c1-13(2)18-10-16(19(25)9-14(18)3)12-24(4)11-15-5-7-17(8-6-15)20(21,22)23/h5-10,13,25H,11-12H2,1-4H3.
What are the key properties of 5-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-propan-2-ylphenol?
5-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-propan-2-ylphenol has a molecular weight of 351.41 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-propan-2-ylphenol is sourced from PubChem (CID 7911459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).