4-[1-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-methoxyphenol

C13H18F3NO2 — CID 82981884

IUPAC4-[1-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-methoxyphenol
SMILESCCN(CC(F)(F)F)C(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C13H18F3NO2/c1-4-17(8-13(14,15)16)9(2)10-5-6-11(18)12(7-10)19-3/h5-7,9,18H,4,8H2,1-3H3
InChIKeyVWBWFUOIYMTBMS-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.35
Rot. Bonds5

About 4-[1-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-methoxyphenol

4-[1-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-methoxyphenol (PubChem CID 82981884) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 4-[1-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-methoxyphenol
PubChem CID82981884
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name4-[1-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-methoxyphenol
SMILESCCN(CC(F)(F)F)C(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C13H18F3NO2/c1-4-17(8-13(14,15)16)9(2)10-5-6-11(18)12(7-10)19-3/h5-7,9,18H,4,8H2,1-3H3
InChIKeyVWBWFUOIYMTBMS-UHFFFAOYSA-N
XLogP3.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]-2-methoxyphenol
CID 102999085
4-[1-[bis(2-methylpropyl)amino]ethyl]-2-methoxyphenol
CID 82981648
4-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-2-methoxyphenol
CID 79647398
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
2-[butyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetamide
CID 82978340
4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride
CID 171222672
4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-methoxyphenol;hydrochloride
CID 171222654
2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid
CID 65067506
4-(1-amino-2,2,2-trifluoroethyl)-2-methoxyphenol
CID 77128126
4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol
CID 55254286
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]acetamide
CID 82978392

Frequently Asked Questions

What is the IUPAC name of 4-[1-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-methoxyphenol (CID 82981884) is 4-[1-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-methoxyphenol is CCN(CC(F)(F)F)C(C)c1ccc(O)c(OC)c1.
What is the InChIKey of 4-[1-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-methoxyphenol?
The InChIKey is VWBWFUOIYMTBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-4-17(8-13(14,15)16)9(2)10-5-6-11(18)12(7-10)19-3/h5-7,9,18H,4,8H2,1-3H3.
What are the key properties of 4-[1-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-methoxyphenol?
4-[1-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-methoxyphenol has a molecular weight of 277.29 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-methoxyphenol is sourced from PubChem (CID 82981884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).