3-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol

C15H18F3NO2 — CID 103921055

IUPAC3-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
SMILESCCc1c(C(C)NCC(O)C(F)(F)F)oc2ccccc12
InChIInChI=1S/C15H18F3NO2/c1-3-10-11-6-4-5-7-12(11)21-14(10)9(2)19-8-13(20)15(16,17)18/h4-7,9,13,19-20H,3,8H2,1-2H3
InChIKeyRWQBGQWOJUCXSL-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.57
Rot. Bonds5

About 3-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol

3-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 103921055) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 3-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID103921055
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name3-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
SMILESCCc1c(C(C)NCC(O)C(F)(F)F)oc2ccccc12
InChIInChI=1S/C15H18F3NO2/c1-3-10-11-6-4-5-7-12(11)21-14(10)9(2)19-8-13(20)15(16,17)18/h4-7,9,13,19-20H,3,8H2,1-2H3
InChIKeyRWQBGQWOJUCXSL-UHFFFAOYSA-N
XLogP3.57
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43099760
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 104578869
N',N'-diethyl-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine
CID 43108977
2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
CID 43207567
1-(3-ethyl-1-benzofuran-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204821
2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide
CID 43567237
2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide
CID 43551834
1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954039
1-(3-ethyl-1-benzofuran-2-yl)-2-(propylamino)ethanol
CID 10423975
1-(3-ethyl-1-benzofuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63001771
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]cyclobutanamine
CID 55067360
ethyl 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]propanoate
CID 61498346

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol (CID 103921055) is 3-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol is CCc1c(C(C)NCC(O)C(F)(F)F)oc2ccccc12.
What is the InChIKey of 3-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is RWQBGQWOJUCXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-3-10-11-6-4-5-7-12(11)21-14(10)9(2)19-8-13(20)15(16,17)18/h4-7,9,13,19-20H,3,8H2,1-2H3.
What are the key properties of 3-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
3-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 301.31 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 103921055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).