2-(1H-indol-3-yl)-N-(trifluoromethyl)ethanamine

C11H11F3N2 — CID 54050405

IUPAC2-(1H-indol-3-yl)-N-(trifluoromethyl)ethanamine
SMILESFC(F)(F)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C11H11F3N2/c12-11(13,14)16-6-5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,15-16H,5-6H2
InChIKeyLSMINIYMGGMVRV-UHFFFAOYSA-N
MW228.22 g/mol
LogP2.82
Rot. Bonds3

About 2-(1H-indol-3-yl)-N-(trifluoromethyl)ethanamine

2-(1H-indol-3-yl)-N-(trifluoromethyl)ethanamine (PubChem CID 54050405) has the molecular formula C11H11F3N2 and a molecular weight of 228.22 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(trifluoromethyl)ethanamine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(trifluoromethyl)ethanamine
PubChem CID54050405
Molecular FormulaC11H11F3N2
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name2-(1H-indol-3-yl)-N-(trifluoromethyl)ethanamine
SMILESFC(F)(F)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C11H11F3N2/c12-11(13,14)16-6-5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,15-16H,5-6H2
InChIKeyLSMINIYMGGMVRV-UHFFFAOYSA-N
XLogP2.82
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine
CID 67232901
CID 176716293
CID 176716293
1,1,1-trifluoro-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide
CID 106386056
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
CID 71385029
1-N-[2-(1H-indol-3-yl)ethyl]-2,6-bis(trifluoromethyl)benzene-1,4-diamine
CID 59493269
2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 79792358
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine
CID 164562122
N-benzhydryl-2-(1H-indol-3-yl)ethanamine
CID 101231581
N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine
CID 43202427
(E)-N-[2-(1H-indol-3-yl)ethyl]prop-1-en-1-amine
CID 118478788

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(trifluoromethyl)ethanamine?
The IUPAC name of 2-(1H-indol-3-yl)-N-(trifluoromethyl)ethanamine (CID 54050405) is 2-(1H-indol-3-yl)-N-(trifluoromethyl)ethanamine.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(trifluoromethyl)ethanamine?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(trifluoromethyl)ethanamine is FC(F)(F)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(trifluoromethyl)ethanamine?
The InChIKey is LSMINIYMGGMVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2/c12-11(13,14)16-6-5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,15-16H,5-6H2.
What are the key properties of 2-(1H-indol-3-yl)-N-(trifluoromethyl)ethanamine?
2-(1H-indol-3-yl)-N-(trifluoromethyl)ethanamine has a molecular weight of 228.22 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(trifluoromethyl)ethanamine is sourced from PubChem (CID 54050405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).