N-methyl-2-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]propan-1-amine

C15H17F3N2 — CID 91106134

IUPACN-methyl-2-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]propan-1-amine
SMILESCNCC(C)c1cc(C(F)(F)F)nc2c(C)cccc12
InChIInChI=1S/C15H17F3N2/c1-9-5-4-6-11-12(10(2)8-19-3)7-13(15(16,17)18)20-14(9)11/h4-7,10,19H,8H2,1-3H3
InChIKeyIAHZSOMCGGUMOE-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.88
Rot. Bonds3

About N-methyl-2-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]propan-1-amine

N-methyl-2-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]propan-1-amine (PubChem CID 91106134) has the molecular formula C15H17F3N2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-methyl-2-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]propan-1-amine
PubChem CID91106134
Molecular FormulaC15H17F3N2
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC NameN-methyl-2-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]propan-1-amine
SMILESCNCC(C)c1cc(C(F)(F)F)nc2c(C)cccc12
InChIInChI=1S/C15H17F3N2/c1-9-5-4-6-11-12(10(2)8-19-3)7-13(15(16,17)18)20-14(9)11/h4-7,10,19H,8H2,1-3H3
InChIKeyIAHZSOMCGGUMOE-UHFFFAOYSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloro-2-iodophenyl)methylamino]-1-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]ethanol
CID 70822617
(1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
CID 125493987
imino-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]iminoazanium
CID 6332670
2-[2-aminoethyl(cyclohexyl)amino]-1-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]ethanol
CID 70822615
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[1-(tert-butylamino)propan-2-ylamino]ethanol
CID 54577873
[2,8-bis(trifluoromethyl)quinolin-4-yl]-[1-(cyclopentylamino)propan-2-ylamino]methanol
CID 71592220
1-(2,8-dimethylquinolin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 70822787
4-(difluoromethyl)-8-methoxy-2-(trifluoromethyl)quinoline
CID 130247540
5-[2-[[2-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-hydroxyethyl]amino]ethyl]-2-methylphenol
CID 90734320
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(octylamino)ethanol
CID 88920621
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(but-3-ynylamino)ethanol
CID 155566747
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[2-(dimethylamino)ethylamino]ethanol
CID 54578090

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]propan-1-amine?
The IUPAC name of N-methyl-2-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]propan-1-amine (CID 91106134) is N-methyl-2-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]propan-1-amine.
What is the SMILES notation for N-methyl-2-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]propan-1-amine?
The canonical SMILES for N-methyl-2-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]propan-1-amine is CNCC(C)c1cc(C(F)(F)F)nc2c(C)cccc12.
What is the InChIKey of N-methyl-2-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]propan-1-amine?
The InChIKey is IAHZSOMCGGUMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2/c1-9-5-4-6-11-12(10(2)8-19-3)7-13(15(16,17)18)20-14(9)11/h4-7,10,19H,8H2,1-3H3.
What are the key properties of N-methyl-2-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]propan-1-amine?
N-methyl-2-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]propan-1-amine has a molecular weight of 282.31 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[8-methyl-2-(trifluoromethyl)quinolin-4-yl]propan-1-amine is sourced from PubChem (CID 91106134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).