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

C12H16F3NO2 — CID 79311898

IUPAC2-methoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
SMILESCOc1cc(CN(C)CCC(F)(F)F)ccc1O
InChIInChI=1S/C12H16F3NO2/c1-16(6-5-12(13,14)15)8-9-3-4-10(17)11(7-9)18-2/h3-4,7,17H,5-6,8H2,1-2H3
InChIKeySTUSMWFEUWBMGA-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.79
Rot. Bonds5

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

2-methoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol (PubChem CID 79311898) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-methoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
PubChem CID79311898
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name2-methoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
SMILESCOc1cc(CN(C)CCC(F)(F)F)ccc1O
InChIInChI=1S/C12H16F3NO2/c1-16(6-5-12(13,14)15)8-9-3-4-10(17)11(7-9)18-2/h3-4,7,17H,5-6,8H2,1-2H3
InChIKeySTUSMWFEUWBMGA-UHFFFAOYSA-N
XLogP2.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 82980817
2,6-dimethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 78971012
2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 82981036
3-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 103737026
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 64592034
4-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992880
2-(aminomethyl)-2-ethyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide
CID 115432186
4-(fluoromethyl)-2-methoxyphenol
CID 84650348
2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride
CID 2963067
2-methoxy-4-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol;hydrochloride
CID 120898104
4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol
CID 102999096
(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929356

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol?
The IUPAC name of 2-methoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol (CID 79311898) is 2-methoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol is COc1cc(CN(C)CCC(F)(F)F)ccc1O.
What is the InChIKey of 2-methoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol?
The InChIKey is STUSMWFEUWBMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-16(6-5-12(13,14)15)8-9-3-4-10(17)11(7-9)18-2/h3-4,7,17H,5-6,8H2,1-2H3.
What are the key properties of 2-methoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol?
2-methoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol has a molecular weight of 263.26 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol is sourced from PubChem (CID 79311898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).