3-[2-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine

C12H13F3N2 — CID 84630189

IUPAC3-[2-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine
SMILESNCCCc1c(C(F)(F)F)[nH]c2ccccc12
InChIInChI=1S/C12H13F3N2/c13-12(14,15)11-9(5-3-7-16)8-4-1-2-6-10(8)17-11/h1-2,4,6,17H,3,5,7,16H2
InChIKeyQTZPLAAEXKICHC-UHFFFAOYSA-N
MW242.24 g/mol
LogP3.08
Rot. Bonds3

About 3-[2-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine

3-[2-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine (PubChem CID 84630189) has the molecular formula C12H13F3N2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine
PubChem CID84630189
Molecular FormulaC12H13F3N2
Molecular Weight242.24 g/mol
Exact Mass242.10
IUPAC Name3-[2-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine
SMILESNCCCc1c(C(F)(F)F)[nH]c2ccccc12
InChIInChI=1S/C12H13F3N2/c13-12(14,15)11-9(5-3-7-16)8-4-1-2-6-10(8)17-11/h1-2,4,6,17H,3,5,7,16H2
InChIKeyQTZPLAAEXKICHC-UHFFFAOYSA-N
XLogP3.08
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 4-[2-(trifluoromethyl)-1H-indol-3-yl]butanoate
CID 101463365
2-[2-(trifluoromethyl)-1H-indol-3-yl]acetonitrile
CID 15271069
3-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]propan-1-amine
CID 67663685
2-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine
CID 84632127
2-[2,5-bis(trifluoromethyl)-1H-indol-3-yl]ethanamine
CID 125457020
3-(bromomethyl)-2-(trifluoromethyl)-1H-quinolin-4-one
CID 154728171
2-tert-butyl-3-pentyl-1H-indole
CID 121472314
4-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3946658
4-[2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine
CID 3565408
2-amino-1-[2-(trifluoromethyl)-1H-indol-3-yl]ethanone
CID 84703215
3-(2-pyridin-2-yl-1H-indol-3-yl)propan-1-amine
CID 170868095
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine?
The IUPAC name of 3-[2-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine (CID 84630189) is 3-[2-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine?
The canonical SMILES for 3-[2-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine is NCCCc1c(C(F)(F)F)[nH]c2ccccc12.
What is the InChIKey of 3-[2-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine?
The InChIKey is QTZPLAAEXKICHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2/c13-12(14,15)11-9(5-3-7-16)8-4-1-2-6-10(8)17-11/h1-2,4,6,17H,3,5,7,16H2.
What are the key properties of 3-[2-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine?
3-[2-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine has a molecular weight of 242.24 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine is sourced from PubChem (CID 84630189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).