N-methyl-1-quinolin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine

C14H15F3N2O — CID 103214652

IUPACN-methyl-1-quinolin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1cnc2ccccc2c1
InChIInChI=1S/C14H15F3N2O/c1-18-13(8-20-9-14(15,16)17)11-6-10-4-2-3-5-12(10)19-7-11/h2-7,13,18H,8-9H2,1H3
InChIKeyZGOHQSBDJOUXOK-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.07
Rot. Bonds5

About N-methyl-1-quinolin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine

N-methyl-1-quinolin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103214652) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is N-methyl-1-quinolin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-1-quinolin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103214652
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC NameN-methyl-1-quinolin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1cnc2ccccc2c1
InChIInChI=1S/C14H15F3N2O/c1-18-13(8-20-9-14(15,16)17)11-6-10-4-2-3-5-12(10)19-7-11/h2-7,13,18H,8-9H2,1H3
InChIKeyZGOHQSBDJOUXOK-UHFFFAOYSA-N
XLogP3.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(6-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215250
4-ethoxy-N-methyl-1-quinolin-3-ylbutan-1-amine
CID 105097537
3-ethoxy-N-ethyl-1-quinolin-3-ylpropan-1-amine
CID 105097975
N-methyl-1-quinolin-3-yl-2-(thian-4-yl)ethanamine
CID 105097613
(5-methyl-1-quinolin-3-ylhexyl)hydrazine
CID 114276904
1-(2,6-difluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215329
1-quinolin-3-ylbutylhydrazine
CID 105202157
(2-tert-butylsulfanyl-1-quinolin-3-ylethyl)hydrazine
CID 105226474
1-(3-methoxypyrazin-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216154
1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 105097865
N-methyl-3-(oxolan-2-yl)-1-quinolin-3-ylpropan-1-amine
CID 115797860
1-(1-ethoxycyclopentyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 116761853

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-quinolin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-methyl-1-quinolin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103214652) is N-methyl-1-quinolin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-methyl-1-quinolin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-methyl-1-quinolin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine is CNC(COCC(F)(F)F)c1cnc2ccccc2c1.
What is the InChIKey of N-methyl-1-quinolin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is ZGOHQSBDJOUXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-18-13(8-20-9-14(15,16)17)11-6-10-4-2-3-5-12(10)19-7-11/h2-7,13,18H,8-9H2,1H3.
What are the key properties of N-methyl-1-quinolin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine?
N-methyl-1-quinolin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 284.28 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-quinolin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103214652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).