2-methyl-8-(2,2,2-trifluoroethoxy)quinolin-4-amine

C12H11F3N2O — CID 62203397

IUPAC2-methyl-8-(2,2,2-trifluoroethoxy)quinolin-4-amine
SMILESCc1cc(N)c2cccc(OCC(F)(F)F)c2n1
InChIInChI=1S/C12H11F3N2O/c1-7-5-9(16)8-3-2-4-10(11(8)17-7)18-6-12(13,14)15/h2-5H,6H2,1H3,(H2,16,17)
InChIKeyFCWNSERZSCEJQU-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.07
Rot. Bonds2

About 2-methyl-8-(2,2,2-trifluoroethoxy)quinolin-4-amine

2-methyl-8-(2,2,2-trifluoroethoxy)quinolin-4-amine (PubChem CID 62203397) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 2-methyl-8-(2,2,2-trifluoroethoxy)quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-8-(2,2,2-trifluoroethoxy)quinolin-4-amine
PubChem CID62203397
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name2-methyl-8-(2,2,2-trifluoroethoxy)quinolin-4-amine
SMILESCc1cc(N)c2cccc(OCC(F)(F)F)c2n1
InChIInChI=1S/C12H11F3N2O/c1-7-5-9(16)8-3-2-4-10(11(8)17-7)18-6-12(13,14)15/h2-5H,6H2,1H3,(H2,16,17)
InChIKeyFCWNSERZSCEJQU-UHFFFAOYSA-N
XLogP3.07
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-8-phenoxyquinolin-4-amine
CID 55063401
3-ethyl-8-(2,2,2-trifluoroethoxy)quinolin-2-amine
CID 63232155
4-chloro-2-(methoxymethyl)-8-(2,2,2-trifluoroethoxy)quinoline
CID 62319927
8-(2,2,2-trifluoroethoxy)quinoline
CID 70258854
2-ethyl-8-propoxyquinolin-4-amine
CID 62203401
1-(8-ethoxy-2-methylquinolin-4-yl)ethanamine
CID 82575817
2-(2,2,2-trifluoroethoxy)aniline;hydrochloride
CID 21272058
3-methyl-4-(2,2,2-trifluoroethoxy)aniline
CID 43165621
2,4-dichloro-3-[(4-chloro-2-methylquinolin-8-yl)oxymethyl]aniline
CID 22113156
ethyl 2-(8-ethoxy-2-methylquinolin-4-yl)oxyacetate
CID 66487495
4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 839789
8-ethoxy-2-methylquinoline-4-carboxamide
CID 82574053

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(2,2,2-trifluoroethoxy)quinolin-4-amine?
The IUPAC name of 2-methyl-8-(2,2,2-trifluoroethoxy)quinolin-4-amine (CID 62203397) is 2-methyl-8-(2,2,2-trifluoroethoxy)quinolin-4-amine.
What is the SMILES notation for 2-methyl-8-(2,2,2-trifluoroethoxy)quinolin-4-amine?
The canonical SMILES for 2-methyl-8-(2,2,2-trifluoroethoxy)quinolin-4-amine is Cc1cc(N)c2cccc(OCC(F)(F)F)c2n1.
What is the InChIKey of 2-methyl-8-(2,2,2-trifluoroethoxy)quinolin-4-amine?
The InChIKey is FCWNSERZSCEJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-7-5-9(16)8-3-2-4-10(11(8)17-7)18-6-12(13,14)15/h2-5H,6H2,1H3,(H2,16,17).
What are the key properties of 2-methyl-8-(2,2,2-trifluoroethoxy)quinolin-4-amine?
2-methyl-8-(2,2,2-trifluoroethoxy)quinolin-4-amine has a molecular weight of 256.23 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(2,2,2-trifluoroethoxy)quinolin-4-amine is sourced from PubChem (CID 62203397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).