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

C13H15F3N2 — CID 84635921

IUPAC[7-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine
SMILESCCc1cccc2c(CN)c(C(F)(F)F)n(C)c12
InChIInChI=1S/C13H15F3N2/c1-3-8-5-4-6-9-10(7-17)12(13(14,15)16)18(2)11(8)9/h4-6H,3,7,17H2,1-2H3
InChIKeyJMCFHKLETULKIC-UHFFFAOYSA-N
MW256.27 g/mol
LogP3.22
Rot. Bonds2

About [7-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine

[7-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine (PubChem CID 84635921) has the molecular formula C13H15F3N2 and a molecular weight of 256.27 g/mol. Its IUPAC name is [7-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine.

Molecular Properties

Compound Name[7-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine
PubChem CID84635921
Molecular FormulaC13H15F3N2
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC Name[7-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine
SMILESCCc1cccc2c(CN)c(C(F)(F)F)n(C)c12
InChIInChI=1S/C13H15F3N2/c1-3-8-5-4-6-9-10(7-17)12(13(14,15)16)18(2)11(8)9/h4-6H,3,7,17H2,1-2H3
InChIKeyJMCFHKLETULKIC-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

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Related Compounds

7-ethyl-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile
CID 84634593
[5-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine
CID 84635897
[3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine
CID 84629640
1-ethyl-9-methylcarbazole
CID 21455608
[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]methanamine
CID 84630192
2-(7-ethyl-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495320
7-ethyl-1,2-dimethylindole-3-carboxylic acid
CID 82493307
4-(7-ethyl-1,2-dimethylindol-3-yl)butan-2-one
CID 82497423
7-ethyl-1,3-dimethylindole-2-carbaldehyde
CID 82491522
[3-ethyl-2-(trifluoromethoxy)phenyl]methanamine
CID 170998610
1,3-diethyl-2-(trifluoromethyl)benzene
CID 91552460
1-(7-ethyl-1,2-dimethylindol-3-yl)-N,N-dimethylethane-1,2-diamine
CID 82500433

Frequently Asked Questions

What is the IUPAC name of [7-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine?
The IUPAC name of [7-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine (CID 84635921) is [7-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine.
What is the SMILES notation for [7-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine?
The canonical SMILES for [7-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine is CCc1cccc2c(CN)c(C(F)(F)F)n(C)c12.
What is the InChIKey of [7-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine?
The InChIKey is JMCFHKLETULKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2/c1-3-8-5-4-6-9-10(7-17)12(13(14,15)16)18(2)11(8)9/h4-6H,3,7,17H2,1-2H3.
What are the key properties of [7-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine?
[7-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 [7-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine is sourced from PubChem (CID 84635921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).