1-(3-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol

C13H18F3NO3 — CID 78966774

IUPAC1-(3-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol
SMILESCOc1cccc(C(O)CNCCOCC(F)(F)F)c1
InChIInChI=1S/C13H18F3NO3/c1-19-11-4-2-3-10(7-11)12(18)8-17-5-6-20-9-13(14,15)16/h2-4,7,12,17-18H,5-6,8-9H2,1H3
InChIKeyKIALTUAZEDTFRO-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.90
Rot. Bonds8

About 1-(3-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol

1-(3-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol (PubChem CID 78966774) has the molecular formula C13H18F3NO3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol
PubChem CID78966774
Molecular FormulaC13H18F3NO3
Molecular Weight293.29 g/mol
Exact Mass293.12
IUPAC Name1-(3-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol
SMILESCOc1cccc(C(O)CNCCOCC(F)(F)F)c1
InChIInChI=1S/C13H18F3NO3/c1-19-11-4-2-3-10(7-11)12(18)8-17-5-6-20-9-13(14,15)16/h2-4,7,12,17-18H,5-6,8-9H2,1H3
InChIKeyKIALTUAZEDTFRO-UHFFFAOYSA-N
XLogP1.90
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol
CID 78966701
1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 78966811
1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 113450094
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol
CID 106246707
1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol
CID 114616947
2-(2-butoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 61171276
1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol
CID 78966982
1-(3-methoxyphenyl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol
CID 103782967
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(3,3,3-trifluoropropyl)urea
CID 111483054
1-(3-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 81133898
2-[2-[cyclopentyl(methyl)amino]ethylamino]-1-(3-methoxyphenyl)ethanol
CID 81134315

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol (CID 78966774) is 1-(3-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol is COc1cccc(C(O)CNCCOCC(F)(F)F)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol?
The InChIKey is KIALTUAZEDTFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO3/c1-19-11-4-2-3-10(7-11)12(18)8-17-5-6-20-9-13(14,15)16/h2-4,7,12,17-18H,5-6,8-9H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol?
1-(3-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol has a molecular weight of 293.29 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol is sourced from PubChem (CID 78966774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).