2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylamino]phenol

C16H16F3NO — CID 106954168

IUPAC2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylamino]phenol
SMILESCc1cc(NCc2cccc(C(F)(F)F)c2)c(C)cc1O
InChIInChI=1S/C16H16F3NO/c1-10-7-15(21)11(2)6-14(10)20-9-12-4-3-5-13(8-12)16(17,18)19/h3-8,20-21H,9H2,1-2H3
InChIKeyFTHGPLVOVPEFER-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.64
Rot. Bonds3

About 2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylamino]phenol

2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylamino]phenol (PubChem CID 106954168) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylamino]phenol.

Molecular Properties

Compound Name2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylamino]phenol
PubChem CID106954168
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylamino]phenol
SMILESCc1cc(NCc2cccc(C(F)(F)F)c2)c(C)cc1O
InChIInChI=1S/C16H16F3NO/c1-10-7-15(21)11(2)6-14(10)20-9-12-4-3-5-13(8-12)16(17,18)19/h3-8,20-21H,9H2,1-2H3
InChIKeyFTHGPLVOVPEFER-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': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 104726294
4-[(3,4-dimethylphenyl)methylamino]-2,5-dimethylphenol
CID 106953736
2,3-difluoro-6-[[3-(trifluoromethyl)phenyl]methylamino]phenol
CID 69011759
4-bromo-2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 29016762
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28521330
2-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 43436206
2-chloro-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 66252816
2-methoxy-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 791955
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
5-methyl-2-[[3-(trifluoromethyl)phenyl]methylamino]benzonitrile
CID 107926869
2,3,5-trifluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 62809900
1-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-(2,4,5-trimethylphenyl)thiourea
CID 3594293

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylamino]phenol?
The IUPAC name of 2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylamino]phenol (CID 106954168) is 2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylamino]phenol.
What is the SMILES notation for 2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylamino]phenol?
The canonical SMILES for 2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylamino]phenol is Cc1cc(NCc2cccc(C(F)(F)F)c2)c(C)cc1O.
What is the InChIKey of 2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylamino]phenol?
The InChIKey is FTHGPLVOVPEFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-10-7-15(21)11(2)6-14(10)20-9-12-4-3-5-13(8-12)16(17,18)19/h3-8,20-21H,9H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylamino]phenol?
2,5-dimethyl-4-[[3-(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 2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylamino]phenol is sourced from PubChem (CID 106954168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).