2,2,2-trifluoro-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine

C12H15F3N2 — CID 63898475

IUPAC2,2,2-trifluoro-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
SMILESCN1CCCc2cc(C(N)C(F)(F)F)ccc21
InChIInChI=1S/C12H15F3N2/c1-17-6-2-3-8-7-9(4-5-10(8)17)11(16)12(13,14)15/h4-5,7,11H,2-3,6,16H2,1H3
InChIKeyGWBAWLDBTKEPAD-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.63
Rot. Bonds1

About 2,2,2-trifluoro-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine

2,2,2-trifluoro-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine (PubChem CID 63898475) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
PubChem CID63898475
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name2,2,2-trifluoro-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
SMILESCN1CCCc2cc(C(N)C(F)(F)F)ccc21
InChIInChI=1S/C12H15F3N2/c1-17-6-2-3-8-7-9(4-5-10(8)17)11(16)12(13,14)15/h4-5,7,11H,2-3,6,16H2,1H3
InChIKeyGWBAWLDBTKEPAD-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine with MolForge

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Related Compounds

1-methyl-2-[(1R)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]hydrazine
CID 59760276
(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethanamine
CID 51675118
ethyl 2-amino-3-hydroxy-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)propanoate
CID 115481721
2-(cyclopropylmethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetonitrile
CID 55034834
2-(3-fluorophenyl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol
CID 63896170
(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-(1-methylpyrazol-3-yl)methanol
CID 103130128
[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methanamine
CID 39226329
(1-ethylimidazol-2-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
CID 63976074
fluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 142338422
(2-ethylcyclohexyl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
CID 63893497
(4-bromothiophen-3-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
CID 79595705
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-ol
CID 82074067

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine (CID 63898475) is 2,2,2-trifluoro-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine is CN1CCCc2cc(C(N)C(F)(F)F)ccc21.
What is the InChIKey of 2,2,2-trifluoro-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine?
The InChIKey is GWBAWLDBTKEPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-17-6-2-3-8-7-9(4-5-10(8)17)11(16)12(13,14)15/h4-5,7,11H,2-3,6,16H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine?
2,2,2-trifluoro-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine has a molecular weight of 244.26 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine is sourced from PubChem (CID 63898475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).