2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine

C14H17F3N2 — CID 117121445

IUPAC2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine
SMILESCCn1c(C(C)(C)N)cc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H17F3N2/c1-4-19-11-6-5-10(14(15,16)17)7-9(11)8-12(19)13(2,3)18/h5-8H,4,18H2,1-3H3
InChIKeyWQHFPJGJUCYCRF-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.87
Rot. Bonds2

About 2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine

2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine (PubChem CID 117121445) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine
PubChem CID117121445
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine
SMILESCCn1c(C(C)(C)N)cc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H17F3N2/c1-4-19-11-6-5-10(14(15,16)17)7-9(11)8-12(19)13(2,3)18/h5-8H,4,18H2,1-3H3
InChIKeyWQHFPJGJUCYCRF-UHFFFAOYSA-N
XLogP3.87
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminopropan-2-yl)-1-ethylindol-5-ol
CID 117121687
1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine
CID 117121456
1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-ol
CID 117121432
methyl 2-amino-2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]acetate
CID 115072109
2-(5-tert-butyl-1-methylindol-2-yl)propan-2-amine
CID 84631643
1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-amine
CID 118466537
[1-ethyl-6-(trifluoromethyl)indol-2-yl]methanol
CID 117122614
1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 59177162
1-ethyl-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole
CID 46310424
ethyl 1-[(3,4-dichlorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylate
CID 22310857
1-ethyl-5-nitroso-2-[3-(trifluoromethyl)phenyl]indole
CID 174901786
1-butyl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501979

Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine?
The IUPAC name of 2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine (CID 117121445) is 2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine.
What is the SMILES notation for 2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine?
The canonical SMILES for 2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine is CCn1c(C(C)(C)N)cc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine?
The InChIKey is WQHFPJGJUCYCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2/c1-4-19-11-6-5-10(14(15,16)17)7-9(11)8-12(19)13(2,3)18/h5-8H,4,18H2,1-3H3.
What are the key properties of 2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine?
2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine has a molecular weight of 270.30 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine is sourced from PubChem (CID 117121445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).