2-(furan-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol

C14H14F3NO2 — CID 115618244

IUPAC2-(furan-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(CNCc1ccoc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO2/c15-14(16,17)12-3-1-2-11(6-12)13(19)8-18-7-10-4-5-20-9-10/h1-6,9,13,18-19H,7-8H2
InChIKeyVOHUCNIDQCYUKP-UHFFFAOYSA-N
MW285.26 g/mol
LogP3.12
Rot. Bonds5

About 2-(furan-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol

2-(furan-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 115618244) has the molecular formula C14H14F3NO2 and a molecular weight of 285.26 g/mol. Its IUPAC name is 2-(furan-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(furan-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID115618244
Molecular FormulaC14H14F3NO2
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name2-(furan-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(CNCc1ccoc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO2/c15-14(16,17)12-3-1-2-11(6-12)13(19)8-18-7-10-4-5-20-9-10/h1-6,9,13,18-19H,7-8H2
InChIKeyVOHUCNIDQCYUKP-UHFFFAOYSA-N
XLogP3.12
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromothiophen-2-yl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60969473
(1R)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 124549015
1-(2,6-difluorophenyl)-2-(furan-3-ylmethylamino)ethanol
CID 115644826
1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol
CID 134033677
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
1-[3-(trifluoromethyl)phenyl]-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol
CID 106429233
2-(morpholin-4-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 83021159
2-(pent-4-ynylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 106221281
1-(3-fluorophenyl)-2-(furan-3-yl)ethanol
CID 83171476
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
2-[3-(2-hydroxyethoxy)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 106309771
2-(3-ethoxypropylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60901091

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(furan-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol (CID 115618244) is 2-(furan-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(furan-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(furan-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol is OC(CNCc1ccoc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(furan-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is VOHUCNIDQCYUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c15-14(16,17)12-3-1-2-11(6-12)13(19)8-18-7-10-4-5-20-9-10/h1-6,9,13,18-19H,7-8H2.
What are the key properties of 2-(furan-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
2-(furan-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 285.26 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 115618244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).