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

C13H15F3N2 — CID 117197311

IUPAC3-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-1-amine
SMILESCn1cc(CCCN)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C13H15F3N2/c1-18-8-9(4-3-7-17)10-5-2-6-11(12(10)18)13(14,15)16/h2,5-6,8H,3-4,7,17H2,1H3
InChIKeyLQWSNDOFWGTKMG-UHFFFAOYSA-N
MW256.27 g/mol
LogP3.09
Rot. Bonds3

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

3-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-1-amine (PubChem CID 117197311) has the molecular formula C13H15F3N2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 3-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-1-amine
PubChem CID117197311
Molecular FormulaC13H15F3N2
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC Name3-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-1-amine
SMILESCn1cc(CCCN)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C13H15F3N2/c1-18-8-9(4-3-7-17)10-5-2-6-11(12(10)18)13(14,15)16/h2,5-6,8H,3-4,7,17H2,1H3
InChIKeyLQWSNDOFWGTKMG-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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Related Compounds

3-[1-methyl-7-(trifluoromethyl)indol-3-yl]propanoic acid
CID 117197320
2-[1-propan-2-yl-7-(trifluoromethyl)indol-3-yl]ethanamine
CID 117197355
3-(1-methylindol-3-yl)propan-1-amine
CID 3930315
2-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-2-ol
CID 117197297
3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 83919994
3-[7-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine
CID 5135495
3-(1-ethyl-7-methylindol-3-yl)propan-1-amine
CID 117197455
4-[8-(trifluoromethyl)quinolin-4-yl]butan-1-amine
CID 20737628
2-(3-aminopropyl)-3-(trifluoromethyl)phenol
CID 117311849
3-(1-ethyl-7-methoxyindol-3-yl)propan-1-amine
CID 117197959
2-[1,3-dimethyl-7-(trifluoromethyl)indol-2-yl]ethanamine
CID 83919995
1-methyl-3-[1-methyl-7-(trifluoromethyl)indol-3-yl]pyrazol-5-amine
CID 115108352

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-1-amine?
The IUPAC name of 3-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-1-amine (CID 117197311) is 3-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-1-amine?
The canonical SMILES for 3-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-1-amine is Cn1cc(CCCN)c2cccc(C(F)(F)F)c21.
What is the InChIKey of 3-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-1-amine?
The InChIKey is LQWSNDOFWGTKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2/c1-18-8-9(4-3-7-17)10-5-2-6-11(12(10)18)13(14,15)16/h2,5-6,8H,3-4,7,17H2,1H3.
What are the key properties of 3-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-1-amine?
3-[1-methyl-7-(trifluoromethyl)indol-3-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-3-yl]propan-1-amine is sourced from PubChem (CID 117197311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).