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

C12H13F3N2 — CID 84630192

IUPAC[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]methanamine
SMILESCc1ccc2c(c1)c(CN)c(C(F)(F)F)n2C
InChIInChI=1S/C12H13F3N2/c1-7-3-4-10-8(5-7)9(6-16)11(17(10)2)12(13,14)15/h3-5H,6,16H2,1-2H3
InChIKeyLRKVPCMAWLMLSP-UHFFFAOYSA-N
MW242.24 g/mol
LogP2.96
Rot. Bonds1

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

[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]methanamine (PubChem CID 84630192) has the molecular formula C12H13F3N2 and a molecular weight of 242.24 g/mol. Its IUPAC name is [1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]methanamine.

Molecular Properties

Compound Name[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]methanamine
PubChem CID84630192
Molecular FormulaC12H13F3N2
Molecular Weight242.24 g/mol
Exact Mass242.10
IUPAC Name[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]methanamine
SMILESCc1ccc2c(c1)c(CN)c(C(F)(F)F)n2C
InChIInChI=1S/C12H13F3N2/c1-7-3-4-10-8(5-7)9(6-16)11(17(10)2)12(13,14)15/h3-5H,6,16H2,1-2H3
InChIKeyLRKVPCMAWLMLSP-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine
CID 84635897
1-[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]-N-methylmethanamine
CID 84635895
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
[1,2-dimethyl-5-(trifluoromethoxy)indol-3-yl]methanamine
CID 125479327
[7-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine
CID 84635921
2-methyl-2-(1,2,5-trimethylindol-3-yl)propan-1-amine
CID 82495217
3-(aminomethyl)-1,4,7-trimethylquinolin-2-one
CID 84622309
N,N-dimethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine
CID 59939722
3-(3,6-dimethylcarbazol-9-yl)propan-1-amine
CID 58183726
N-ethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine
CID 82495215
3-(1,2,5-trimethylindol-3-yl)propanenitrile
CID 82492674

Frequently Asked Questions

What is the IUPAC name of [1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]methanamine?
The IUPAC name of [1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]methanamine (CID 84630192) is [1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]methanamine.
What is the SMILES notation for [1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]methanamine?
The canonical SMILES for [1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]methanamine is Cc1ccc2c(c1)c(CN)c(C(F)(F)F)n2C.
What is the InChIKey of [1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]methanamine?
The InChIKey is LRKVPCMAWLMLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2/c1-7-3-4-10-8(5-7)9(6-16)11(17(10)2)12(13,14)15/h3-5H,6,16H2,1-2H3.
What are the key properties of [1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]methanamine?
[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]methanamine has a molecular weight of 242.24 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]methanamine is sourced from PubChem (CID 84630192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).