2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine

C12H15F3N2 — CID 74376166

IUPAC2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCCC1CC(N)c2cc(C(F)(F)F)ccc2N1
InChIInChI=1S/C12H15F3N2/c1-2-8-6-10(16)9-5-7(12(13,14)15)3-4-11(9)17-8/h3-5,8,10,17H,2,6,16H2,1H3
InChIKeyHWXJGEDTIYQFAE-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.30
Rot. Bonds1

About 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine

2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine (PubChem CID 74376166) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine
PubChem CID74376166
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCCC1CC(N)c2cc(C(F)(F)F)ccc2N1
InChIInChI=1S/C12H15F3N2/c1-2-8-6-10(16)9-5-7(12(13,14)15)3-4-11(9)17-8/h3-5,8,10,17H,2,6,16H2,1H3
InChIKeyHWXJGEDTIYQFAE-UHFFFAOYSA-N
XLogP3.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine?
The IUPAC name of 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine (CID 74376166) is 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine.
What is the SMILES notation for 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine?
The canonical SMILES for 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine is CCC1CC(N)c2cc(C(F)(F)F)ccc2N1.
What is the InChIKey of 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine?
The InChIKey is HWXJGEDTIYQFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-2-8-6-10(16)9-5-7(12(13,14)15)3-4-11(9)17-8/h3-5,8,10,17H,2,6,16H2,1H3.
What are the key properties of 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine?
2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine has a molecular weight of 244.26 g/mol, XLogP of 3.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine is sourced from PubChem (CID 74376166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).