1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

C13H16F3NO2 — CID 103216476

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1cccc2c1OCC2
InChIInChI=1S/C13H16F3NO2/c1-17-11(7-18-8-13(14,15)16)10-4-2-3-9-5-6-19-12(9)10/h2-4,11,17H,5-8H2,1H3
InChIKeyNQBPILOMUGSNJV-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.46
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103216476) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103216476
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1cccc2c1OCC2
InChIInChI=1S/C13H16F3NO2/c1-17-11(7-18-8-13(14,15)16)10-4-2-3-9-5-6-19-12(9)10/h2-4,11,17H,5-8H2,1H3
InChIKeyNQBPILOMUGSNJV-UHFFFAOYSA-N
XLogP2.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine
CID 114745766
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-phenylsulfanylethanamine
CID 114745502
2-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745282
2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745177
1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoro-N-methylethanamine
CID 103517236
2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745490
1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine
CID 114745045
1-(1-benzothiophen-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215996
2-(2-bromophenyl)sulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745652
1-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207451
1-(2,6-difluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215329
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105189342

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103216476) is 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is CNC(COCC(F)(F)F)c1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is NQBPILOMUGSNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-17-11(7-18-8-13(14,15)16)10-4-2-3-9-5-6-19-12(9)10/h2-4,11,17H,5-8H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 275.27 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103216476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).