2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine

C13H14F3NO — CID 43755050

IUPAC2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine
SMILESCc1c(C(C)NCC(F)(F)F)oc2ccccc12
InChIInChI=1S/C13H14F3NO/c1-8-10-5-3-4-6-11(10)18-12(8)9(2)17-7-13(14,15)16/h3-6,9,17H,7H2,1-2H3
InChIKeyZUXHCAYIYJYXAB-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.95
Rot. Bonds3

About 2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine

2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine (PubChem CID 43755050) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine
PubChem CID43755050
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine
SMILESCc1c(C(C)NCC(F)(F)F)oc2ccccc12
InChIInChI=1S/C13H14F3NO/c1-8-10-5-3-4-6-11(10)18-12(8)9(2)17-7-13(14,15)16/h3-6,9,17H,7H2,1-2H3
InChIKeyZUXHCAYIYJYXAB-UHFFFAOYSA-N
XLogP3.95
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43099760
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 43754997
2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]prop-2-en-1-amine
CID 104578826
2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 63981303
N-methyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide
CID 102676059
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210012
(1S)-1-(3-methyl-1-benzofuran-2-yl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 99834293
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43781331
N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
CID 43777697
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 104578869
(1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 124571843
2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
CID 43771437

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine (CID 43755050) is 2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine is Cc1c(C(C)NCC(F)(F)F)oc2ccccc12.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine?
The InChIKey is ZUXHCAYIYJYXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-8-10-5-3-4-6-11(10)18-12(8)9(2)17-7-13(14,15)16/h3-6,9,17H,7H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine?
2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine has a molecular weight of 257.25 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine is sourced from PubChem (CID 43755050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).