4-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)phenol

C11H14F3NO — CID 82977713

IUPAC4-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)phenol
SMILESCCN(C)Cc1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-3-15(2)7-8-4-5-10(16)9(6-8)11(12,13)14/h4-6,16H,3,7H2,1-2H3
InChIKeyUDPSAAKNMPATOD-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.86
Rot. Bonds3

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

4-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)phenol (PubChem CID 82977713) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)phenol
PubChem CID82977713
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name4-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)phenol
SMILESCCN(C)Cc1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-3-15(2)7-8-4-5-10(16)9(6-8)11(12,13)14/h4-6,16H,3,7H2,1-2H3
InChIKeyUDPSAAKNMPATOD-UHFFFAOYSA-N
XLogP2.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[butan-2-yl(methyl)amino]methyl]-2-(trifluoromethyl)phenol
CID 82976724
ethane;4-ethyl-2-(trifluoromethyl)phenol
CID 143680036
4-[[ethyl(2-methylbutyl)amino]methyl]-2-(trifluoromethyl)phenol
CID 82983289
N-ethyl-2-[ethyl-[[4-hydroxy-3-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 82957049
4-[[methyl-(2-methylcyclohexyl)amino]methyl]-2-(trifluoromethyl)phenol
CID 82959398
4-[(hydroxyamino)methyl]-2-(trifluoromethyl)phenol
CID 117295399
4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-2-(trifluoromethyl)phenol
CID 82958502
2-[[ethyl(methyl)amino]methyl]-4-[[3-[[ethyl(methyl)amino]methyl]-4-hydroxyphenyl]methyl]phenol
CID 163931349
2-amino-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 60890972
3-[4-hydroxy-3-(trifluoromethyl)phenyl]-2-methylpropanoic acid
CID 84706478
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-(trifluoromethyl)phenol
CID 82983584
2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 82981036

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)phenol?
The IUPAC name of 4-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)phenol (CID 82977713) is 4-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)phenol.
What is the SMILES notation for 4-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)phenol?
The canonical SMILES for 4-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)phenol is CCN(C)Cc1ccc(O)c(C(F)(F)F)c1.
What is the InChIKey of 4-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)phenol?
The InChIKey is UDPSAAKNMPATOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-3-15(2)7-8-4-5-10(16)9(6-8)11(12,13)14/h4-6,16H,3,7H2,1-2H3.
What are the key properties of 4-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)phenol?
4-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)phenol has a molecular weight of 233.23 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)phenol is sourced from PubChem (CID 82977713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).