1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol

C11H14F3NO2 — CID 78966811

IUPAC1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESCOc1cccc(C(O)CNCC(F)(F)F)c1
InChIInChI=1S/C11H14F3NO2/c1-17-9-4-2-3-8(5-9)10(16)6-15-7-11(12,13)14/h2-5,10,15-16H,6-7H2,1H3
InChIKeyICUBDPQPDFLIMC-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.88
Rot. Bonds5

About 1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol

1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol (PubChem CID 78966811) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
PubChem CID78966811
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESCOc1cccc(C(O)CNCC(F)(F)F)c1
InChIInChI=1S/C11H14F3NO2/c1-17-9-4-2-3-8(5-9)10(16)6-15-7-11(12,13)14/h2-5,10,15-16H,6-7H2,1H3
InChIKeyICUBDPQPDFLIMC-UHFFFAOYSA-N
XLogP1.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol
CID 78966774
1-(3-methoxyphenyl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol
CID 103782967
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol
CID 114616947
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 78967042
2-[2-(4-fluorophenyl)propylamino]-1-(3-methoxyphenyl)ethanol
CID 111382295
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(3,3,3-trifluoropropyl)urea
CID 111483054
1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 113450094
2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol
CID 78966701
1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol
CID 78966982
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 81134737

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol (CID 78966811) is 1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol is COc1cccc(C(O)CNCC(F)(F)F)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol?
The InChIKey is ICUBDPQPDFLIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-17-9-4-2-3-8(5-9)10(16)6-15-7-11(12,13)14/h2-5,10,15-16H,6-7H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol?
1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol has a molecular weight of 249.23 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol is sourced from PubChem (CID 78966811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).