2-[2,5-bis(trifluoromethyl)-1H-indol-3-yl]ethanamine

C12H10F6N2 — CID 125457020

IUPAC2-[2,5-bis(trifluoromethyl)-1H-indol-3-yl]ethanamine
SMILESNCCc1c(C(F)(F)F)[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C12H10F6N2/c13-11(14,15)6-1-2-9-8(5-6)7(3-4-19)10(20-9)12(16,17)18/h1-2,5,20H,3-4,19H2
InChIKeyIFSINHLCRDSPHF-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.71
Rot. Bonds2

About 2-[2,5-bis(trifluoromethyl)-1H-indol-3-yl]ethanamine

2-[2,5-bis(trifluoromethyl)-1H-indol-3-yl]ethanamine (PubChem CID 125457020) has the molecular formula C12H10F6N2 and a molecular weight of 296.21 g/mol. Its IUPAC name is 2-[2,5-bis(trifluoromethyl)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2,5-bis(trifluoromethyl)-1H-indol-3-yl]ethanamine
PubChem CID125457020
Molecular FormulaC12H10F6N2
Molecular Weight296.21 g/mol
Exact Mass296.07
IUPAC Name2-[2,5-bis(trifluoromethyl)-1H-indol-3-yl]ethanamine
SMILESNCCc1c(C(F)(F)F)[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C12H10F6N2/c13-11(14,15)6-1-2-9-8(5-6)7(3-4-19)10(20-9)12(16,17)18/h1-2,5,20H,3-4,19H2
InChIKeyIFSINHLCRDSPHF-UHFFFAOYSA-N
XLogP3.71
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine
CID 84632127
2-[5-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanol
CID 84639252
[5-bromo-2-(trifluoromethyl)-1H-indol-3-yl]methanamine
CID 84643873
3-[2-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine
CID 84630189
4-[2-thiophen-2-yl-5-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 3472968
3-ethyl-2-propyl-5-(trifluoromethyl)-1H-indole
CID 155108242
[3-phenyl-5-(trifluoromethyl)-1H-indol-2-yl]methanamine
CID 163577022
4-[2-(3-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 4299973
3-[5-methyl-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol
CID 84636463
2,5-bis(trifluoromethyl)-1H-indole-3-carbonyl chloride
CID 18476333
4-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 5183043
2-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]ethanol
CID 84637571

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(trifluoromethyl)-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[2,5-bis(trifluoromethyl)-1H-indol-3-yl]ethanamine (CID 125457020) is 2-[2,5-bis(trifluoromethyl)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[2,5-bis(trifluoromethyl)-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[2,5-bis(trifluoromethyl)-1H-indol-3-yl]ethanamine is NCCc1c(C(F)(F)F)[nH]c2ccc(C(F)(F)F)cc12.
What is the InChIKey of 2-[2,5-bis(trifluoromethyl)-1H-indol-3-yl]ethanamine?
The InChIKey is IFSINHLCRDSPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F6N2/c13-11(14,15)6-1-2-9-8(5-6)7(3-4-19)10(20-9)12(16,17)18/h1-2,5,20H,3-4,19H2.
What are the key properties of 2-[2,5-bis(trifluoromethyl)-1H-indol-3-yl]ethanamine?
2-[2,5-bis(trifluoromethyl)-1H-indol-3-yl]ethanamine has a molecular weight of 296.21 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis(trifluoromethyl)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 125457020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).