1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]ethanamine

C13H13F3N2 — CID 82575830

IUPAC1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]ethanamine
SMILESCc1cc(C(C)N)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C13H13F3N2/c1-7-6-10(8(2)17)9-4-3-5-11(12(9)18-7)13(14,15)16/h3-6,8H,17H2,1-2H3
InChIKeyUPLFHXXLJUFRGP-UHFFFAOYSA-N
MW254.25 g/mol
LogP3.58
Rot. Bonds1

About 1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]ethanamine

1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]ethanamine (PubChem CID 82575830) has the molecular formula C13H13F3N2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]ethanamine
PubChem CID82575830
Molecular FormulaC13H13F3N2
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]ethanamine
SMILESCc1cc(C(C)N)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C13H13F3N2/c1-7-6-10(8(2)17)9-4-3-5-11(12(9)18-7)13(14,15)16/h3-6,8H,17H2,1-2H3
InChIKeyUPLFHXXLJUFRGP-UHFFFAOYSA-N
XLogP3.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-8-(trifluoromethyl)quinoline;ethane
CID 142222859
1-(8-ethoxy-2-methylquinolin-4-yl)ethanamine
CID 82575817
1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]-2-(prop-2-enylamino)ethanol
CID 91075369
(1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
CID 125493987
1-(4-chloro-2-methylquinolin-8-yl)ethanamine
CID 82575844
(2S,3S)-2-amino-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-methylpentan-1-ol
CID 91400299
[4-methyl-8-(trifluoromethyl)quinolin-2-yl]methanamine
CID 82573650
1-[2-chloro-3-(trifluoromethyl)phenyl]ethanamine
CID 78001930
2-(4-iminoazepan-1-yl)-1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]ethanol
CID 90691629
1-(8-fluoro-2-propan-2-ylquinolin-4-yl)ethanamine
CID 82448872
3,4-dibromo-2-methyl-8-(trifluoromethyl)quinoline
CID 121236040
1-[2-methyl-5-(trifluoromethyl)quinolin-4-yl]propan-2-amine
CID 82577585

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]ethanamine?
The IUPAC name of 1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]ethanamine (CID 82575830) is 1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]ethanamine.
What is the SMILES notation for 1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]ethanamine?
The canonical SMILES for 1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]ethanamine is Cc1cc(C(C)N)c2cccc(C(F)(F)F)c2n1.
What is the InChIKey of 1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]ethanamine?
The InChIKey is UPLFHXXLJUFRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2/c1-7-6-10(8(2)17)9-4-3-5-11(12(9)18-7)13(14,15)16/h3-6,8H,17H2,1-2H3.
What are the key properties of 1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]ethanamine?
1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]ethanamine has a molecular weight of 254.25 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]ethanamine is sourced from PubChem (CID 82575830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).