N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine

C14H16F3NO — CID 43099760

IUPACN-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESCCc1c(C(C)NCC(F)(F)F)oc2ccccc12
InChIInChI=1S/C14H16F3NO/c1-3-10-11-6-4-5-7-12(11)19-13(10)9(2)18-8-14(15,16)17/h4-7,9,18H,3,8H2,1-2H3
InChIKeyKTODIGSJILOESC-UHFFFAOYSA-N
MW271.28 g/mol
LogP4.21
Rot. Bonds4

About N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine

N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine (PubChem CID 43099760) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
PubChem CID43099760
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC NameN-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESCCc1c(C(C)NCC(F)(F)F)oc2ccccc12
InChIInChI=1S/C14H16F3NO/c1-3-10-11-6-4-5-7-12(11)19-13(10)9(2)18-8-14(15,16)17/h4-7,9,18H,3,8H2,1-2H3
InChIKeyKTODIGSJILOESC-UHFFFAOYSA-N
XLogP4.21
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 104578869
2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine
CID 43755050
3-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103921055
N',N'-diethyl-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine
CID 43108977
1-(3-ethyl-1-benzofuran-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204821
1-(3-ethyl-1-benzofuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63001771
2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide
CID 43551834
2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
CID 43207567
2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide
CID 43567237
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]cyclobutanamine
CID 55067360
1-(3-ethyl-1-benzofuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281276
1-(3-ethyl-1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61043837

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine (CID 43099760) is N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine is CCc1c(C(C)NCC(F)(F)F)oc2ccccc12.
What is the InChIKey of N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is KTODIGSJILOESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-3-10-11-6-4-5-7-12(11)19-13(10)9(2)18-8-14(15,16)17/h4-7,9,18H,3,8H2,1-2H3.
What are the key properties of N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine?
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 271.28 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 43099760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).