3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine

C13H15F3N2 — CID 83919994

IUPAC3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine
SMILESCn1c(CCCN)cc2cccc(C(F)(F)F)c21
InChIInChI=1S/C13H15F3N2/c1-18-10(5-3-7-17)8-9-4-2-6-11(12(9)18)13(14,15)16/h2,4,6,8H,3,5,7,17H2,1H3
InChIKeyXLRMVZCTRKOXDD-UHFFFAOYSA-N
MW256.27 g/mol
LogP3.09
Rot. Bonds3

About 3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine

3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine (PubChem CID 83919994) has the molecular formula C13H15F3N2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine
PubChem CID83919994
Molecular FormulaC13H15F3N2
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC Name3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine
SMILESCn1c(CCCN)cc2cccc(C(F)(F)F)c21
InChIInChI=1S/C13H15F3N2/c1-18-10(5-3-7-17)8-9-4-2-6-11(12(9)18)13(14,15)16/h2,4,6,8H,3,5,7,17H2,1H3
InChIKeyXLRMVZCTRKOXDD-UHFFFAOYSA-N
XLogP3.09
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine?
The IUPAC name of 3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine (CID 83919994) is 3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine?
The canonical SMILES for 3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine is Cn1c(CCCN)cc2cccc(C(F)(F)F)c21.
What is the InChIKey of 3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine?
The InChIKey is XLRMVZCTRKOXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2/c1-18-10(5-3-7-17)8-9-4-2-6-11(12(9)18)13(14,15)16/h2,4,6,8H,3,5,7,17H2,1H3.
What are the key properties of 3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine?
3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine has a molecular weight of 256.27 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine is sourced from PubChem (CID 83919994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).