2-[1-ethyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]ethanamine

C13H17F3N2 — CID 117199387

IUPAC2-[1-ethyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]ethanamine
SMILESCCN1CC(CCN)c2c1cccc2C(F)(F)F
InChIInChI=1S/C13H17F3N2/c1-2-18-8-9(6-7-17)12-10(13(14,15)16)4-3-5-11(12)18/h3-5,9H,2,6-8,17H2,1H3
InChIKeyLPJSDVVSAPRGLJ-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.98
Rot. Bonds3

About 2-[1-ethyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]ethanamine

2-[1-ethyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]ethanamine (PubChem CID 117199387) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-[1-ethyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-ethyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]ethanamine
PubChem CID117199387
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name2-[1-ethyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]ethanamine
SMILESCCN1CC(CCN)c2c1cccc2C(F)(F)F
InChIInChI=1S/C13H17F3N2/c1-2-18-8-9(6-7-17)12-10(13(14,15)16)4-3-5-11(12)18/h3-5,9H,2,6-8,17H2,1H3
InChIKeyLPJSDVVSAPRGLJ-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]ethanamine?
The IUPAC name of 2-[1-ethyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]ethanamine (CID 117199387) is 2-[1-ethyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-ethyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]ethanamine?
The canonical SMILES for 2-[1-ethyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]ethanamine is CCN1CC(CCN)c2c1cccc2C(F)(F)F.
What is the InChIKey of 2-[1-ethyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]ethanamine?
The InChIKey is LPJSDVVSAPRGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-2-18-8-9(6-7-17)12-10(13(14,15)16)4-3-5-11(12)18/h3-5,9H,2,6-8,17H2,1H3.
What are the key properties of 2-[1-ethyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]ethanamine?
2-[1-ethyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]ethanamine has a molecular weight of 258.29 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]ethanamine is sourced from PubChem (CID 117199387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).