2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethanamine

C11H11F3N2O — CID 34176010

IUPAC2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)17-8-1-2-9-7(3-4-15)6-16-10(9)5-8/h1-2,5-6,16H,3-4,15H2
InChIKeyUFWYMYNPQBBVRL-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.57
Rot. Bonds3

About 2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethanamine

2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethanamine (PubChem CID 34176010) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethanamine
PubChem CID34176010
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)17-8-1-2-9-7(3-4-15)6-16-10(9)5-8/h1-2,5-6,16H,3-4,15H2
InChIKeyUFWYMYNPQBBVRL-UHFFFAOYSA-N
XLogP2.57
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-aminoethoxy)-2,6-dichloro-N-[2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrimidin-4-amine
CID 171572995
2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron
CID 121393685
2-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine
CID 83410120
[4-oxo-7-(trifluoromethoxy)-1H-quinolin-3-yl]methanesulfonic acid
CID 151911320
2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethanamine
CID 71510843
4-(6-methoxy-1H-indol-3-yl)butane-2,2-diamine
CID 19837016
2-(6-thiophen-2-yl-1H-indol-3-yl)ethanamine
CID 82293447
5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine
CID 15341730
N-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(methylaminomethyl)-1H-indol-6-amine
CID 134357306
1-[3-(2-aminoethyl)-1H-indol-5-yl]-2,2,2-trifluoroethanone
CID 82380642
2-(3-aminopropyl)-4-(trifluoromethoxy)aniline
CID 170867746
2-(1H-indol-3-yl)ethanamine;methyl hypoiodite
CID 143451156

Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethanamine (CID 34176010) is 2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethanamine is NCCc1c[nH]c2cc(OC(F)(F)F)ccc12.
What is the InChIKey of 2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethanamine?
The InChIKey is UFWYMYNPQBBVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-11(13,14)17-8-1-2-9-7(3-4-15)6-16-10(9)5-8/h1-2,5-6,16H,3-4,15H2.
What are the key properties of 2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethanamine?
2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethanamine has a molecular weight of 244.22 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 34176010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).