2,6-dimethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol

C13H18F3NO3 — CID 78971012

IUPAC2,6-dimethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
SMILESCOc1cc(CN(C)CCC(F)(F)F)cc(OC)c1O
InChIInChI=1S/C13H18F3NO3/c1-17(5-4-13(14,15)16)8-9-6-10(19-2)12(18)11(7-9)20-3/h6-7,18H,4-5,8H2,1-3H3
InChIKeyCVFZZENBEOJMIX-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.79
Rot. Bonds6

About 2,6-dimethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol

2,6-dimethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol (PubChem CID 78971012) has the molecular formula C13H18F3NO3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
PubChem CID78971012
Molecular FormulaC13H18F3NO3
Molecular Weight293.29 g/mol
Exact Mass293.12
IUPAC Name2,6-dimethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
SMILESCOc1cc(CN(C)CCC(F)(F)F)cc(OC)c1O
InChIInChI=1S/C13H18F3NO3/c1-17(5-4-13(14,15)16)8-9-6-10(19-2)12(18)11(7-9)20-3/h6-7,18H,4-5,8H2,1-3H3
InChIKeyCVFZZENBEOJMIX-UHFFFAOYSA-N
XLogP2.79
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 79311898
4-[(dimethylamino)methyl]-2,6-dimethoxyphenol
CID 10066574
2-ethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 82980817
2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-6-methoxyphenol
CID 82981074
2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 82981036
4-[(dipropylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
CID 45259533
2-chloro-6-methoxy-4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
CID 82983833
2-chloro-6-methoxy-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82979703
4-[(2-fluoro-N-methylanilino)methyl]-2,6-dimethoxyphenol
CID 82958062
N-ethyl-N-(3,3,3-trifluoropropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 51100665
2-bromo-6-methoxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 82982114
[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methanol
CID 115229222

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol (CID 78971012) is 2,6-dimethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol is COc1cc(CN(C)CCC(F)(F)F)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol?
The InChIKey is CVFZZENBEOJMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO3/c1-17(5-4-13(14,15)16)8-9-6-10(19-2)12(18)11(7-9)20-3/h6-7,18H,4-5,8H2,1-3H3.
What are the key properties of 2,6-dimethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol?
2,6-dimethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol has a molecular weight of 293.29 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol is sourced from PubChem (CID 78971012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).