2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine

C12H13F3N2 — CID 67232901

IUPAC2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine
SMILESFC(F)(F)CNCCc1c[nH]c2ccccc12
InChIInChI=1S/C12H13F3N2/c13-12(14,15)8-16-6-5-9-7-17-11-4-2-1-3-10(9)11/h1-4,7,16-17H,5-6,8H2
InChIKeyYVTVVDHBRPJFHQ-UHFFFAOYSA-N
MW242.24 g/mol
LogP2.86
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine

2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine (PubChem CID 67232901) has the molecular formula C12H13F3N2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine
PubChem CID67232901
Molecular FormulaC12H13F3N2
Molecular Weight242.24 g/mol
Exact Mass242.10
IUPAC Name2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine
SMILESFC(F)(F)CNCCc1c[nH]c2ccccc12
InChIInChI=1S/C12H13F3N2/c13-12(14,15)8-16-6-5-9-7-17-11-4-2-1-3-10(9)11/h1-4,7,16-17H,5-6,8H2
InChIKeyYVTVVDHBRPJFHQ-UHFFFAOYSA-N
XLogP2.86
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-3-yl)-N-(trifluoromethyl)ethanamine
CID 54050405
2-[[2-(1H-indol-3-yl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81411810
[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
CID 71385029
1,1,1-trifluoro-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide
CID 106386056
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol
CID 82118518
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 4719995
1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 6473561
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
N',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine
CID 82089991

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine (CID 67232901) is 2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine is FC(F)(F)CNCCc1c[nH]c2ccccc12.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine?
The InChIKey is YVTVVDHBRPJFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2/c13-12(14,15)8-16-6-5-9-7-17-11-4-2-1-3-10(9)11/h1-4,7,16-17H,5-6,8H2.
What are the key properties of 2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine?
2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine has a molecular weight of 242.24 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 67232901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).