2-methyl-6-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol

C16H16F3NO — CID 115951717

IUPAC2-methyl-6-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol
SMILESCc1ccc(C(F)(F)F)cc1NCc1cccc(C)c1O
InChIInChI=1S/C16H16F3NO/c1-10-6-7-13(16(17,18)19)8-14(10)20-9-12-5-3-4-11(2)15(12)21/h3-8,20-21H,9H2,1-2H3
InChIKeyPHIFFHZEHOIAOS-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.64
Rot. Bonds3

About 2-methyl-6-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol

2-methyl-6-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol (PubChem CID 115951717) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-methyl-6-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol
PubChem CID115951717
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-methyl-6-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol
SMILESCc1ccc(C(F)(F)F)cc1NCc1cccc(C)c1O
InChIInChI=1S/C16H16F3NO/c1-10-6-7-13(16(17,18)19)8-14(10)20-9-12-5-3-4-11(2)15(12)21/h3-8,20-21H,9H2,1-2H3
InChIKeyPHIFFHZEHOIAOS-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
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

4-fluoro-2-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol
CID 107694477
2-methyl-6-[[4-methyl-3-(trifluoromethyl)anilino]methyl]phenol
CID 115951655
4-bromo-2-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol
CID 107737917
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66480735
N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
2-fluoro-6-[(5-fluoro-2-methylanilino)methyl]phenol
CID 112606277
2-methyl-6-[(2,3,5-trifluoroanilino)methyl]phenol
CID 112606802
N-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline
CID 66478739
(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 106932273
1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 66479358
2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 66478762
2-[(3-fluoro-2-iodoanilino)methyl]-6-methylphenol
CID 114258304

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol?
The IUPAC name of 2-methyl-6-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol (CID 115951717) is 2-methyl-6-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol.
What is the SMILES notation for 2-methyl-6-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol?
The canonical SMILES for 2-methyl-6-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol is Cc1ccc(C(F)(F)F)cc1NCc1cccc(C)c1O.
What is the InChIKey of 2-methyl-6-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol?
The InChIKey is PHIFFHZEHOIAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-10-6-7-13(16(17,18)19)8-14(10)20-9-12-5-3-4-11(2)15(12)21/h3-8,20-21H,9H2,1-2H3.
What are the key properties of 2-methyl-6-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol?
2-methyl-6-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol has a molecular weight of 295.30 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol is sourced from PubChem (CID 115951717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).