2,4-dimethyl-6-[[2-(trifluoromethyl)anilino]methyl]phenol

C16H16F3NO — CID 70822632

IUPAC2,4-dimethyl-6-[[2-(trifluoromethyl)anilino]methyl]phenol
SMILESCc1cc(C)c(O)c(CNc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c1-10-7-11(2)15(21)12(8-10)9-20-14-6-4-3-5-13(14)16(17,18)19/h3-8,20-21H,9H2,1-2H3
InChIKeyVAVGUICPPTYWAH-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.64
Rot. Bonds3

About 2,4-dimethyl-6-[[2-(trifluoromethyl)anilino]methyl]phenol

2,4-dimethyl-6-[[2-(trifluoromethyl)anilino]methyl]phenol (PubChem CID 70822632) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2,4-dimethyl-6-[[2-(trifluoromethyl)anilino]methyl]phenol.

Molecular Properties

Compound Name2,4-dimethyl-6-[[2-(trifluoromethyl)anilino]methyl]phenol
PubChem CID70822632
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2,4-dimethyl-6-[[2-(trifluoromethyl)anilino]methyl]phenol
SMILESCc1cc(C)c(O)c(CNc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c1-10-7-11(2)15(21)12(8-10)9-20-14-6-4-3-5-13(14)16(17,18)19/h3-8,20-21H,9H2,1-2H3
InChIKeyVAVGUICPPTYWAH-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

2,6-difluoro-4-[[2-(trifluoromethyl)anilino]methyl]phenol
CID 79881281
2-[(2-bromophenyl)methylamino]-4,6-dimethylphenol
CID 135038178
2-methyl-6-[[4-methyl-3-(trifluoromethyl)anilino]methyl]phenol
CID 115951655
2-chloro-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 107630492
4-chloro-N-[(2-methylphenyl)methyl]-2-(trifluoromethyl)aniline
CID 29045449
N-[(3-methyl-2-pyridinyl)methyl]-2-(trifluoromethyl)aniline
CID 55203857
N-[(2-bromo-4-fluorophenyl)methyl]-2-(trifluoromethyl)aniline
CID 29040115
2-methyl-6-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol
CID 115951717
2,4-dimethyl-6-[[4-(trifluoromethyl)phenyl]methylamino]phenol
CID 162548053
4-fluoro-5-methyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine
CID 103590333
2-[[5-bromo-2-(trifluoromethyl)anilino]methyl]phenol
CID 107286631
4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]benzonitrile
CID 62879958

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[[2-(trifluoromethyl)anilino]methyl]phenol?
The IUPAC name of 2,4-dimethyl-6-[[2-(trifluoromethyl)anilino]methyl]phenol (CID 70822632) is 2,4-dimethyl-6-[[2-(trifluoromethyl)anilino]methyl]phenol.
What is the SMILES notation for 2,4-dimethyl-6-[[2-(trifluoromethyl)anilino]methyl]phenol?
The canonical SMILES for 2,4-dimethyl-6-[[2-(trifluoromethyl)anilino]methyl]phenol is Cc1cc(C)c(O)c(CNc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 2,4-dimethyl-6-[[2-(trifluoromethyl)anilino]methyl]phenol?
The InChIKey is VAVGUICPPTYWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-10-7-11(2)15(21)12(8-10)9-20-14-6-4-3-5-13(14)16(17,18)19/h3-8,20-21H,9H2,1-2H3.
What are the key properties of 2,4-dimethyl-6-[[2-(trifluoromethyl)anilino]methyl]phenol?
2,4-dimethyl-6-[[2-(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 2,4-dimethyl-6-[[2-(trifluoromethyl)anilino]methyl]phenol is sourced from PubChem (CID 70822632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).