2-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]ethanamine

C13H17F3N2 — CID 117200697

IUPAC2-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]ethanamine
SMILESCCN1c2ccc(C(F)(F)F)cc2CC1CCN
InChIInChI=1S/C13H17F3N2/c1-2-18-11(5-6-17)8-9-7-10(13(14,15)16)3-4-12(9)18/h3-4,7,11H,2,5-6,8,17H2,1H3
InChIKeyHWNGFDLGAGACBY-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.81
Rot. Bonds3

About 2-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]ethanamine

2-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]ethanamine (PubChem CID 117200697) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]ethanamine
PubChem CID117200697
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name2-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]ethanamine
SMILESCCN1c2ccc(C(F)(F)F)cc2CC1CCN
InChIInChI=1S/C13H17F3N2/c1-2-18-11(5-6-17)8-9-7-10(13(14,15)16)3-4-12(9)18/h3-4,7,11H,2,5-6,8,17H2,1H3
InChIKeyHWNGFDLGAGACBY-UHFFFAOYSA-N
XLogP2.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]ethanamine?
The IUPAC name of 2-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]ethanamine (CID 117200697) is 2-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]ethanamine?
The canonical SMILES for 2-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]ethanamine is CCN1c2ccc(C(F)(F)F)cc2CC1CCN.
What is the InChIKey of 2-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]ethanamine?
The InChIKey is HWNGFDLGAGACBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-2-18-11(5-6-17)8-9-7-10(13(14,15)16)3-4-12(9)18/h3-4,7,11H,2,5-6,8,17H2,1H3.
What are the key properties of 2-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]ethanamine?
2-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]ethanamine has a molecular weight of 258.29 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]ethanamine is sourced from PubChem (CID 117200697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).