2-[1-propan-2-yl-7-(trifluoromethyl)indol-3-yl]ethanamine

C14H17F3N2 — CID 117197355

IUPAC2-[1-propan-2-yl-7-(trifluoromethyl)indol-3-yl]ethanamine
SMILESCC(C)n1cc(CCN)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C14H17F3N2/c1-9(2)19-8-10(6-7-18)11-4-3-5-12(13(11)19)14(15,16)17/h3-5,8-9H,6-7,18H2,1-2H3
InChIKeyGQDOXWUMCKOHDA-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.74
Rot. Bonds3

About 2-[1-propan-2-yl-7-(trifluoromethyl)indol-3-yl]ethanamine

2-[1-propan-2-yl-7-(trifluoromethyl)indol-3-yl]ethanamine (PubChem CID 117197355) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-[1-propan-2-yl-7-(trifluoromethyl)indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-propan-2-yl-7-(trifluoromethyl)indol-3-yl]ethanamine
PubChem CID117197355
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name2-[1-propan-2-yl-7-(trifluoromethyl)indol-3-yl]ethanamine
SMILESCC(C)n1cc(CCN)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C14H17F3N2/c1-9(2)19-8-10(6-7-18)11-4-3-5-12(13(11)19)14(15,16)17/h3-5,8-9H,6-7,18H2,1-2H3
InChIKeyGQDOXWUMCKOHDA-UHFFFAOYSA-N
XLogP3.74
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-1-amine
CID 117197311
2-(1-propan-2-ylindol-3-yl)ethanamine
CID 5115445
2-[1,3-dimethyl-7-(trifluoromethyl)indol-2-yl]ethanamine
CID 83919995
3-[1-methyl-7-(trifluoromethyl)indol-3-yl]propanoic acid
CID 117197320
2-[2-methyl-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 19704221
2-(7-bromo-1-propan-2-ylindol-3-yl)ethanol
CID 117197647
3-(hydroxymethyl)-1-propan-2-ylindol-7-ol
CID 117182602
[3-(methylaminomethyl)-1-propan-2-ylindol-7-yl]methanamine
CID 117182192
[3-[(dimethylamino)methyl]-1-propan-2-ylindol-7-yl]methanamine
CID 117182193
3-(2-aminopropyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione
CID 117263305
7-fluoro-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole
CID 117182319
[3-(methylsulfonylmethyl)-1-propan-2-ylindol-7-yl]methanamine
CID 117182209

Frequently Asked Questions

What is the IUPAC name of 2-[1-propan-2-yl-7-(trifluoromethyl)indol-3-yl]ethanamine?
The IUPAC name of 2-[1-propan-2-yl-7-(trifluoromethyl)indol-3-yl]ethanamine (CID 117197355) is 2-[1-propan-2-yl-7-(trifluoromethyl)indol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-propan-2-yl-7-(trifluoromethyl)indol-3-yl]ethanamine?
The canonical SMILES for 2-[1-propan-2-yl-7-(trifluoromethyl)indol-3-yl]ethanamine is CC(C)n1cc(CCN)c2cccc(C(F)(F)F)c21.
What is the InChIKey of 2-[1-propan-2-yl-7-(trifluoromethyl)indol-3-yl]ethanamine?
The InChIKey is GQDOXWUMCKOHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2/c1-9(2)19-8-10(6-7-18)11-4-3-5-12(13(11)19)14(15,16)17/h3-5,8-9H,6-7,18H2,1-2H3.
What are the key properties of 2-[1-propan-2-yl-7-(trifluoromethyl)indol-3-yl]ethanamine?
2-[1-propan-2-yl-7-(trifluoromethyl)indol-3-yl]ethanamine has a molecular weight of 270.30 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-propan-2-yl-7-(trifluoromethyl)indol-3-yl]ethanamine is sourced from PubChem (CID 117197355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).