[5-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine

C13H15F3N2 — CID 84635897

IUPAC[5-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine
SMILESCCc1ccc2c(c1)c(CN)c(C(F)(F)F)n2C
InChIInChI=1S/C13H15F3N2/c1-3-8-4-5-11-9(6-8)10(7-17)12(18(11)2)13(14,15)16/h4-6H,3,7,17H2,1-2H3
InChIKeyDPBGBIZHWHNBGX-UHFFFAOYSA-N
MW256.27 g/mol
LogP3.22
Rot. Bonds2

About [5-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine

[5-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine (PubChem CID 84635897) has the molecular formula C13H15F3N2 and a molecular weight of 256.27 g/mol. Its IUPAC name is [5-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine.

Molecular Properties

Compound Name[5-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine
PubChem CID84635897
Molecular FormulaC13H15F3N2
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC Name[5-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine
SMILESCCc1ccc2c(c1)c(CN)c(C(F)(F)F)n2C
InChIInChI=1S/C13H15F3N2/c1-3-8-4-5-11-9(6-8)10(7-17)12(18(11)2)13(14,15)16/h4-6H,3,7,17H2,1-2H3
InChIKeyDPBGBIZHWHNBGX-UHFFFAOYSA-N
XLogP3.22
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]methanamine
CID 84630192
2-[5-bromo-1-methyl-2-(trifluoromethyl)indol-3-yl]ethanamine
CID 84645821
[7-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine
CID 84635921
1-[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]-N-methylmethanamine
CID 84635895
(5-ethyl-1-methylindol-3-yl)methanamine
CID 82490826
5-ethyl-1-methyl-2-(trifluoromethyl)indole
CID 84625236
2-[5-bromo-1-methyl-2-(trifluoromethyl)indol-3-yl]ethanol
CID 84645936
[1,2-dimethyl-5-(trifluoromethoxy)indol-3-yl]methanamine
CID 125479327
2-(5-ethyl-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495226
6-(aminomethyl)-1-methyl-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one
CID 170587482
6-[(dimethylamino)methyl]-3-ethyl-1-methyl-4-(trifluoromethyl)quinolin-2-one
CID 170587653
2-(6-ethyl-1,4-dimethyl-2-oxoquinolin-3-yl)acetic acid
CID 84637675

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine?
The IUPAC name of [5-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine (CID 84635897) is [5-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine.
What is the SMILES notation for [5-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine?
The canonical SMILES for [5-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine is CCc1ccc2c(c1)c(CN)c(C(F)(F)F)n2C.
What is the InChIKey of [5-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine?
The InChIKey is DPBGBIZHWHNBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2/c1-3-8-4-5-11-9(6-8)10(7-17)12(18(11)2)13(14,15)16/h4-6H,3,7,17H2,1-2H3.
What are the key properties of [5-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine?
[5-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine has a molecular weight of 256.27 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine is sourced from PubChem (CID 84635897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).