2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol

C15H16F3NO2 — CID 81392609

IUPAC2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESC[C@@H](NCC(O)c1ccc(C(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C15H16F3NO2/c1-10(14-3-2-8-21-14)19-9-13(20)11-4-6-12(7-5-11)15(16,17)18/h2-8,10,13,19-20H,9H2,1H3/t10-,13?/m1/s1
InChIKeyVLQVBIUYFFHBBJ-VUUHIHSGSA-N
MW299.29 g/mol
LogP3.68
Rot. Bonds5

About 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol

2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 81392609) has the molecular formula C15H16F3NO2 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID81392609
Molecular FormulaC15H16F3NO2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC Name2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESC[C@@H](NCC(O)c1ccc(C(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C15H16F3NO2/c1-10(14-3-2-8-21-14)19-9-13(20)11-4-6-12(7-5-11)15(16,17)18/h2-8,10,13,19-20H,9H2,1H3/t10-,13?/m1/s1
InChIKeyVLQVBIUYFFHBBJ-VUUHIHSGSA-N
XLogP3.68
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-(4-propan-2-ylphenyl)ethanol
CID 81399726
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-nitrophenyl)ethanol
CID 115345080
2-[1-(furan-2-yl)ethylamino]-1-(3-methylphenyl)ethanol
CID 84595635
1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol
CID 54938857
1-(furan-2-yl)-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 110888235
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 24700728
2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-4-methylpentan-1-ol
CID 61247016
N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide
CID 90534872
2-[1-(3,4-dimethylphenyl)ethylamino]-1-(furan-2-yl)ethanol
CID 75382531
(1R)-2-[[(2R)-1-(2-methylphenyl)propan-2-yl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 54087155
(1S)-2-[[(1S)-1-[4-(difluoromethylsulfanyl)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol
CID 97229548

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol (CID 81392609) is 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol is C[C@@H](NCC(O)c1ccc(C(F)(F)F)cc1)c1ccco1.
What is the InChIKey of 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is VLQVBIUYFFHBBJ-VUUHIHSGSA-N. The full InChI is InChI=1S/C15H16F3NO2/c1-10(14-3-2-8-21-14)19-9-13(20)11-4-6-12(7-5-11)15(16,17)18/h2-8,10,13,19-20H,9H2,1H3/t10-,13?/m1/s1.
What are the key properties of 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol?
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 299.29 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 81392609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).