2,2,2-trifluoro-N-(2-indol-1-ylethyl)ethanamine

C12H13F3N2 — CID 62564217

IUPAC2,2,2-trifluoro-N-(2-indol-1-ylethyl)ethanamine
SMILESFC(F)(F)CNCCn1ccc2ccccc21
InChIInChI=1S/C12H13F3N2/c13-12(14,15)9-16-6-8-17-7-5-10-3-1-2-4-11(10)17/h1-5,7,16H,6,8-9H2
InChIKeyUOROWPXQOKADEV-UHFFFAOYSA-N
MW242.24 g/mol
LogP2.79
Rot. Bonds4

About 2,2,2-trifluoro-N-(2-indol-1-ylethyl)ethanamine

2,2,2-trifluoro-N-(2-indol-1-ylethyl)ethanamine (PubChem CID 62564217) has the molecular formula C12H13F3N2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-indol-1-ylethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-indol-1-ylethyl)ethanamine
PubChem CID62564217
Molecular FormulaC12H13F3N2
Molecular Weight242.24 g/mol
Exact Mass242.10
IUPAC Name2,2,2-trifluoro-N-(2-indol-1-ylethyl)ethanamine
SMILESFC(F)(F)CNCCn1ccc2ccccc21
InChIInChI=1S/C12H13F3N2/c13-12(14,15)9-16-6-8-17-7-5-10-3-1-2-4-11(10)17/h1-5,7,16H,6,8-9H2
InChIKeyUOROWPXQOKADEV-UHFFFAOYSA-N
XLogP2.79
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[2-(6-fluoroindol-1-yl)ethyl]ethanamine
CID 62564083
2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide
CID 108750477
1-(2-fluoroethyl)indole
CID 80694500
2-fluoro-N-(2-indol-1-ylethyl)aniline
CID 62562125
N-(2-indol-1-ylethyl)cyclopropanamine
CID 62562475
1-(2-phenylethyl)indole
CID 12601752
1-(3-fluoropropyl)indole
CID 81113690
3-indol-1-ylpropane-1-thiol
CID 139540347
CID 58655955
CID 58655955
2-chloro-N-(2-indol-1-ylethyl)aniline
CID 55195314
1-ethylindole;propane
CID 91144409
2,2,3,3-tetrafluoro-N-(3-indol-1-ylpropyl)propanamide
CID 103732076

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-indol-1-ylethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(2-indol-1-ylethyl)ethanamine (CID 62564217) is 2,2,2-trifluoro-N-(2-indol-1-ylethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-indol-1-ylethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(2-indol-1-ylethyl)ethanamine is FC(F)(F)CNCCn1ccc2ccccc21.
What is the InChIKey of 2,2,2-trifluoro-N-(2-indol-1-ylethyl)ethanamine?
The InChIKey is UOROWPXQOKADEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2/c13-12(14,15)9-16-6-8-17-7-5-10-3-1-2-4-11(10)17/h1-5,7,16H,6,8-9H2.
What are the key properties of 2,2,2-trifluoro-N-(2-indol-1-ylethyl)ethanamine?
2,2,2-trifluoro-N-(2-indol-1-ylethyl)ethanamine has a molecular weight of 242.24 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-indol-1-ylethyl)ethanamine is sourced from PubChem (CID 62564217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).