1-[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]-N-methylmethanamine

C13H15F3N2 — CID 84635895

IUPAC1-[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]-N-methylmethanamine
SMILESCNCc1c(C(F)(F)F)n(C)c2ccc(C)cc12
InChIInChI=1S/C13H15F3N2/c1-8-4-5-11-9(6-8)10(7-17-2)12(18(11)3)13(14,15)16/h4-6,17H,7H2,1-3H3
InChIKeyDUSSEHVZFPYMER-UHFFFAOYSA-N
MW256.27 g/mol
LogP3.22
Rot. Bonds2

About 1-[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]-N-methylmethanamine

1-[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]-N-methylmethanamine (PubChem CID 84635895) has the molecular formula C13H15F3N2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]-N-methylmethanamine
PubChem CID84635895
Molecular FormulaC13H15F3N2
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC Name1-[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]-N-methylmethanamine
SMILESCNCc1c(C(F)(F)F)n(C)c2ccc(C)cc12
InChIInChI=1S/C13H15F3N2/c1-8-4-5-11-9(6-8)10(7-17-2)12(18(11)3)13(14,15)16/h4-6,17H,7H2,1-3H3
InChIKeyDUSSEHVZFPYMER-UHFFFAOYSA-N
XLogP3.22
TPSA16.96 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

[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]methanamine
CID 84630192
1-(5-chloro-1,2-dimethylindol-3-yl)-N-methylmethanamine
CID 82494517
2-[5-bromo-1-methyl-2-(trifluoromethyl)indol-3-yl]ethanamine
CID 84645821
2-[5-bromo-1-methyl-2-(trifluoromethyl)indol-3-yl]ethanol
CID 84645936
1-(1,2-dimethyl-5-phenylindol-3-yl)-N-methylmethanamine
CID 82501498
N-methyl-2-(1,3,5-trimethylindol-2-yl)ethanamine
CID 84622406
3-(1,2,5-trimethylindol-3-yl)propanenitrile
CID 82492674
N-ethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine
CID 82495215
2-(3-bromo-1,5-dimethylindol-2-yl)-N-methylethanamine
CID 84642807
1,6-dimethyl-3-(methylaminomethyl)quinazoline-2,4-dione
CID 117262591
1-(1,5-dimethylbenzimidazol-2-yl)-N-methylmethanamine
CID 60785141
1-(5-chloro-1,3-dimethylindol-2-yl)-N-methylmethanamine
CID 83868331

Frequently Asked Questions

What is the IUPAC name of 1-[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]-N-methylmethanamine (CID 84635895) is 1-[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]-N-methylmethanamine is CNCc1c(C(F)(F)F)n(C)c2ccc(C)cc12.
What is the InChIKey of 1-[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]-N-methylmethanamine?
The InChIKey is DUSSEHVZFPYMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2/c1-8-4-5-11-9(6-8)10(7-17-2)12(18(11)3)13(14,15)16/h4-6,17H,7H2,1-3H3.
What are the key properties of 1-[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]-N-methylmethanamine?
1-[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]-N-methylmethanamine 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 1-[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 84635895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).