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

C12H13F3N2 — CID 5135495

IUPAC3-[7-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine
SMILESNCCCc1c[nH]c2c(C(F)(F)F)cccc12
InChIInChI=1S/C12H13F3N2/c13-12(14,15)10-5-1-4-9-8(3-2-6-16)7-17-11(9)10/h1,4-5,7,17H,2-3,6,16H2
InChIKeyDCLUSZYJDOOZKO-UHFFFAOYSA-N
MW242.24 g/mol
LogP3.08
Rot. Bonds3

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

3-[7-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine (PubChem CID 5135495) has the molecular formula C12H13F3N2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 3-[7-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[7-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine
PubChem CID5135495
Molecular FormulaC12H13F3N2
Molecular Weight242.24 g/mol
Exact Mass242.10
IUPAC Name3-[7-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine
SMILESNCCCc1c[nH]c2c(C(F)(F)F)cccc12
InChIInChI=1S/C12H13F3N2/c13-12(14,15)10-5-1-4-9-8(3-2-6-16)7-17-11(9)10/h1,4-5,7,17H,2-3,6,16H2
InChIKeyDCLUSZYJDOOZKO-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

O-[[7-(trifluoromethyl)-1H-indol-3-yl]methyl]hydroxylamine
CID 117197300
ethane;3-ethyl-7-(trifluoromethyl)-1H-indole
CID 177016084
3-(7-ethoxy-1H-indol-3-yl)propan-1-amine
CID 82374015
3-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-1-amine
CID 117197311
5-(7-methoxy-1H-indol-3-yl)pentan-1-amine
CID 96598611
3-butyl-7-fluoro-1H-indole
CID 106985261
2-(7-methyl-1H-indol-3-yl)ethanamine chloride
CID 53351005
4-[8-(trifluoromethyl)quinolin-4-yl]butan-1-amine
CID 20737628
3-(6-chloro-7-methyl-1H-indol-3-yl)propan-1-amine
CID 3925639
[(1S)-1-carboxy-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethyl]azanium;2,2,2-trifluoroacetate
CID 164775571
8-(1H-indol-3-yl)octan-1-amine
CID 57188115
2-(3-aminopropyl)-3-(trifluoromethyl)phenol
CID 117311849

Frequently Asked Questions

What is the IUPAC name of 3-[7-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine?
The IUPAC name of 3-[7-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine (CID 5135495) is 3-[7-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[7-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine?
The canonical SMILES for 3-[7-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine is NCCCc1c[nH]c2c(C(F)(F)F)cccc12.
What is the InChIKey of 3-[7-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine?
The InChIKey is DCLUSZYJDOOZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2/c13-12(14,15)10-5-1-4-9-8(3-2-6-16)7-17-11(9)10/h1,4-5,7,17H,2-3,6,16H2.
What are the key properties of 3-[7-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine?
3-[7-(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-[7-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine is sourced from PubChem (CID 5135495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).