4-methyl-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol

C16H16F3NO — CID 43504634

IUPAC4-methyl-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol
SMILESCc1ccc(O)c(C(C)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H16F3NO/c1-10-3-8-15(21)14(9-10)11(2)20-13-6-4-12(5-7-13)16(17,18)19/h3-9,11,20-21H,1-2H3
InChIKeyFOTUSHYEAACRHO-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.89
Rot. Bonds3

About 4-methyl-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol

4-methyl-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol (PubChem CID 43504634) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-methyl-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol
PubChem CID43504634
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name4-methyl-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol
SMILESCc1ccc(O)c(C(C)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H16F3NO/c1-10-3-8-15(21)14(9-10)11(2)20-13-6-4-12(5-7-13)16(17,18)19/h3-9,11,20-21H,1-2H3
InChIKeyFOTUSHYEAACRHO-UHFFFAOYSA-N
XLogP4.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-methylanilino)ethyl]benzene-1,4-diol
CID 43196503
2-[1-(4-fluoro-3-methylanilino)ethyl]-4-methylphenol
CID 62810550
5-fluoro-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol
CID 63065466
2-[1-(4-butylanilino)ethyl]-4-methylphenol
CID 43504758
2-[4-[1-(2-hydroxy-5-methylphenyl)ethylamino]phenyl]acetonitrile
CID 43722347
4-methyl-2-[1-(4-propoxyanilino)ethyl]phenol
CID 62327278
4-methyl-2-[1-(quinoxalin-6-ylamino)ethyl]phenol
CID 60944016
2-[1-(3-chloroanilino)ethyl]-4-methylphenol
CID 43504663
2-[1-(1,3-benzodioxol-5-ylamino)ethyl]-4-methylphenol
CID 43504704
4-methyl-2-[(1R)-1-(methylamino)ethyl]phenol
CID 55277105
4-methyl-2-[1-(methylamino)ethyl]phenol
CID 43504566
4-[1-(2,5-dimethylphenyl)ethylamino]phenol
CID 43742646

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol?
The IUPAC name of 4-methyl-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol (CID 43504634) is 4-methyl-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol.
What is the SMILES notation for 4-methyl-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol?
The canonical SMILES for 4-methyl-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol is Cc1ccc(O)c(C(C)Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 4-methyl-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol?
The InChIKey is FOTUSHYEAACRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-10-3-8-15(21)14(9-10)11(2)20-13-6-4-12(5-7-13)16(17,18)19/h3-9,11,20-21H,1-2H3.
What are the key properties of 4-methyl-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol?
4-methyl-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol has a molecular weight of 295.30 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol is sourced from PubChem (CID 43504634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).