2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propan-2-yl formate

C16H23F3N2O2 — CID 174431550

IUPAC2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propan-2-yl formate
SMILESCC(C)OC=O.CCC1CC(N)c2cc(C(F)(F)F)ccc2N1
InChIInChI=1S/C12H15F3N2.C4H8O2/c1-2-8-6-10(16)9-5-7(12(13,14)15)3-4-11(9)17-8;1-4(2)6-3-5/h3-5,8,10,17H,2,6,16H2,1H3;3-4H,1-2H3
InChIKeyGXBRAGIYFSKPPR-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.87
Rot. Bonds3

About 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propan-2-yl formate

2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propan-2-yl formate (PubChem CID 174431550) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propan-2-yl formate.

Molecular Properties

Compound Name2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propan-2-yl formate
PubChem CID174431550
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC Name2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propan-2-yl formate
SMILESCC(C)OC=O.CCC1CC(N)c2cc(C(F)(F)F)ccc2N1
InChIInChI=1S/C12H15F3N2.C4H8O2/c1-2-8-6-10(16)9-5-7(12(13,14)15)3-4-11(9)17-8;1-4(2)6-3-5/h3-5,8,10,17H,2,6,16H2,1H3;3-4H,1-2H3
InChIKeyGXBRAGIYFSKPPR-UHFFFAOYSA-N
XLogP3.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propan-2-yl formate with MolForge

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Related Compounds

(2S,4S)-2-cyclopropyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propyl formate
CID 160804155
N-[(2R,4S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]formamide
CID 118871730
[2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid
CID 22394216
[[(2R,4S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]amino] methanesulfonate
CID 87285060
3-[4-amino-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propyl formate
CID 174445230
(2S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 142935353
6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine
CID 22735273
(2S)-2-ethyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 67764160
2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1,5-naphthyridin-4-amine;hydrochloride
CID 86724701
(2S,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-cyclopropyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;ethyl formate
CID 159623094
3-(2-methylpentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986184
2-(methoxymethyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
CID 113324376

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propan-2-yl formate?
The IUPAC name of 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propan-2-yl formate (CID 174431550) is 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propan-2-yl formate.
What is the SMILES notation for 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propan-2-yl formate?
The canonical SMILES for 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propan-2-yl formate is CC(C)OC=O.CCC1CC(N)c2cc(C(F)(F)F)ccc2N1.
What is the InChIKey of 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propan-2-yl formate?
The InChIKey is GXBRAGIYFSKPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2.C4H8O2/c1-2-8-6-10(16)9-5-7(12(13,14)15)3-4-11(9)17-8;1-4(2)6-3-5/h3-5,8,10,17H,2,6,16H2,1H3;3-4H,1-2H3.
What are the key properties of 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propan-2-yl formate?
2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propan-2-yl formate has a molecular weight of 332.37 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine;propan-2-yl formate is sourced from PubChem (CID 174431550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).