2,4-dimethyl-6-[[4-(trifluoromethyl)phenyl]methylamino]phenol

C16H16F3NO — CID 162548053

IUPAC2,4-dimethyl-6-[[4-(trifluoromethyl)phenyl]methylamino]phenol
SMILESCc1cc(C)c(O)c(NCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H16F3NO/c1-10-7-11(2)15(21)14(8-10)20-9-12-3-5-13(6-4-12)16(17,18)19/h3-8,20-21H,9H2,1-2H3
InChIKeyVEHXESRDHLGOJK-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.64
Rot. Bonds3

About 2,4-dimethyl-6-[[4-(trifluoromethyl)phenyl]methylamino]phenol

2,4-dimethyl-6-[[4-(trifluoromethyl)phenyl]methylamino]phenol (PubChem CID 162548053) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2,4-dimethyl-6-[[4-(trifluoromethyl)phenyl]methylamino]phenol.

Molecular Properties

Compound Name2,4-dimethyl-6-[[4-(trifluoromethyl)phenyl]methylamino]phenol
PubChem CID162548053
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2,4-dimethyl-6-[[4-(trifluoromethyl)phenyl]methylamino]phenol
SMILESCc1cc(C)c(O)c(NCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H16F3NO/c1-10-7-11(2)15(21)14(8-10)20-9-12-3-5-13(6-4-12)16(17,18)19/h3-8,20-21H,9H2,1-2H3
InChIKeyVEHXESRDHLGOJK-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': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29299136
2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 66478762
2,4,5-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 62815004
4-bromo-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 63449383
1-(2,4-dimethylphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 3822404
2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29274559
2,4-dimethyl-6-[[2-(trifluoromethyl)anilino]methyl]phenol
CID 70822632
[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamic acid
CID 68707179
2-[(2-bromophenyl)methylamino]-4,6-dimethylphenol
CID 135038178
N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzamide
CID 78882971
2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 14098781
2,5-dibromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 43736693

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[[4-(trifluoromethyl)phenyl]methylamino]phenol?
The IUPAC name of 2,4-dimethyl-6-[[4-(trifluoromethyl)phenyl]methylamino]phenol (CID 162548053) is 2,4-dimethyl-6-[[4-(trifluoromethyl)phenyl]methylamino]phenol.
What is the SMILES notation for 2,4-dimethyl-6-[[4-(trifluoromethyl)phenyl]methylamino]phenol?
The canonical SMILES for 2,4-dimethyl-6-[[4-(trifluoromethyl)phenyl]methylamino]phenol is Cc1cc(C)c(O)c(NCc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2,4-dimethyl-6-[[4-(trifluoromethyl)phenyl]methylamino]phenol?
The InChIKey is VEHXESRDHLGOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-10-7-11(2)15(21)14(8-10)20-9-12-3-5-13(6-4-12)16(17,18)19/h3-8,20-21H,9H2,1-2H3.
What are the key properties of 2,4-dimethyl-6-[[4-(trifluoromethyl)phenyl]methylamino]phenol?
2,4-dimethyl-6-[[4-(trifluoromethyl)phenyl]methylamino]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-[[4-(trifluoromethyl)phenyl]methylamino]phenol is sourced from PubChem (CID 162548053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).