4-methyl-2-[[3-(trifluoromethyl)anilino]methyl]phenol

C15H14F3NO — CID 63323664

IUPAC4-methyl-2-[[3-(trifluoromethyl)anilino]methyl]phenol
SMILESCc1ccc(O)c(CNc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H14F3NO/c1-10-5-6-14(20)11(7-10)9-19-13-4-2-3-12(8-13)15(16,17)18/h2-8,19-20H,9H2,1H3
InChIKeyNTFGTKHSKFFBOS-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.33
Rot. Bonds3

About 4-methyl-2-[[3-(trifluoromethyl)anilino]methyl]phenol

4-methyl-2-[[3-(trifluoromethyl)anilino]methyl]phenol (PubChem CID 63323664) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 4-methyl-2-[[3-(trifluoromethyl)anilino]methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[[3-(trifluoromethyl)anilino]methyl]phenol
PubChem CID63323664
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name4-methyl-2-[[3-(trifluoromethyl)anilino]methyl]phenol
SMILESCc1ccc(O)c(CNc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H14F3NO/c1-10-5-6-14(20)11(7-10)9-19-13-4-2-3-12(8-13)15(16,17)18/h2-8,19-20H,9H2,1H3
InChIKeyNTFGTKHSKFFBOS-UHFFFAOYSA-N
XLogP4.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-fluoroanilino)methyl]-4-methylphenol
CID 63323256
2-[(3-ethynylanilino)methyl]-4-methylphenol
CID 63322524
2-[(3-methylanilino)methyl]benzene-1,4-diol
CID 82681028
2-[(3,4-dimethylanilino)methyl]-4-methylphenol
CID 63323211
2-[(3,5-difluoroanilino)methyl]-4-methylphenol
CID 63323682
2-[(4-hydroxyanilino)methyl]-4-methylphenol
CID 55205511
4-methyl-2-[[3-(2-methylpropoxy)anilino]methyl]phenol
CID 63325074
2-[(2-fluoroanilino)methyl]-4-methylphenol;2-[(3-fluoroanilino)methyl]-4-methylphenol;2-[(4-fluoroanilino)methyl]-4-methylphenol
CID 167548987
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
4-methyl-2-[[3-(2H-tetrazol-5-yl)anilino]methyl]phenol
CID 63325066
4-methyl-2-[[(2-methyl-2-phenylpropyl)amino]methyl]phenol
CID 63324952
2-fluoro-5-[(2-hydroxy-5-methylphenyl)methylamino]benzoic acid
CID 63324809

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[3-(trifluoromethyl)anilino]methyl]phenol?
The IUPAC name of 4-methyl-2-[[3-(trifluoromethyl)anilino]methyl]phenol (CID 63323664) is 4-methyl-2-[[3-(trifluoromethyl)anilino]methyl]phenol.
What is the SMILES notation for 4-methyl-2-[[3-(trifluoromethyl)anilino]methyl]phenol?
The canonical SMILES for 4-methyl-2-[[3-(trifluoromethyl)anilino]methyl]phenol is Cc1ccc(O)c(CNc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 4-methyl-2-[[3-(trifluoromethyl)anilino]methyl]phenol?
The InChIKey is NTFGTKHSKFFBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-10-5-6-14(20)11(7-10)9-19-13-4-2-3-12(8-13)15(16,17)18/h2-8,19-20H,9H2,1H3.
What are the key properties of 4-methyl-2-[[3-(trifluoromethyl)anilino]methyl]phenol?
4-methyl-2-[[3-(trifluoromethyl)anilino]methyl]phenol has a molecular weight of 281.28 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[3-(trifluoromethyl)anilino]methyl]phenol is sourced from PubChem (CID 63323664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).