1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethanamine

C12H13F3N2 — CID 117120939

IUPAC1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethanamine
SMILESCC(N)c1cn(C)c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C12H13F3N2/c1-7(16)10-6-17(2)11-4-3-8(5-9(10)11)12(13,14)15/h3-7H,16H2,1-2H3
InChIKeyXGQMGAQKEWTIQK-UHFFFAOYSA-N
MW242.24 g/mol
LogP3.22
Rot. Bonds1

About 1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethanamine

1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethanamine (PubChem CID 117120939) has the molecular formula C12H13F3N2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethanamine
PubChem CID117120939
Molecular FormulaC12H13F3N2
Molecular Weight242.24 g/mol
Exact Mass242.10
IUPAC Name1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethanamine
SMILESCC(N)c1cn(C)c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C12H13F3N2/c1-7(16)10-6-17(2)11-4-3-8(5-9(10)11)12(13,14)15/h3-7H,16H2,1-2H3
InChIKeyXGQMGAQKEWTIQK-UHFFFAOYSA-N
XLogP3.22
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethanamine?
The IUPAC name of 1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethanamine (CID 117120939) is 1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethanamine.
What is the SMILES notation for 1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethanamine?
The canonical SMILES for 1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethanamine is CC(N)c1cn(C)c2ccc(C(F)(F)F)cc12.
What is the InChIKey of 1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethanamine?
The InChIKey is XGQMGAQKEWTIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2/c1-7(16)10-6-17(2)11-4-3-8(5-9(10)11)12(13,14)15/h3-7H,16H2,1-2H3.
What are the key properties of 1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethanamine?
1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethanamine has a molecular weight of 242.24 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethanamine is sourced from PubChem (CID 117120939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).