N-methyl-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine

C13H13F3N2O — CID 55044919

IUPACN-methyl-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine
SMILESCNc1nc2ccccc2cc1COCC(F)(F)F
InChIInChI=1S/C13H13F3N2O/c1-17-12-10(7-19-8-13(14,15)16)6-9-4-2-3-5-11(9)18-12/h2-6H,7-8H2,1H3,(H,17,18)
InChIKeyFGFMHXLKSQEQRI-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.36
Rot. Bonds4

About N-methyl-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine

N-methyl-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine (PubChem CID 55044919) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is N-methyl-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine.

Molecular Properties

Compound NameN-methyl-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine
PubChem CID55044919
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC NameN-methyl-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine
SMILESCNc1nc2ccccc2cc1COCC(F)(F)F
InChIInChI=1S/C13H13F3N2O/c1-17-12-10(7-19-8-13(14,15)16)6-9-4-2-3-5-11(9)18-12/h2-6H,7-8H2,1H3,(H,17,18)
InChIKeyFGFMHXLKSQEQRI-UHFFFAOYSA-N
XLogP3.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine?
The IUPAC name of N-methyl-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine (CID 55044919) is N-methyl-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine.
What is the SMILES notation for N-methyl-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine?
The canonical SMILES for N-methyl-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine is CNc1nc2ccccc2cc1COCC(F)(F)F.
What is the InChIKey of N-methyl-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine?
The InChIKey is FGFMHXLKSQEQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-17-12-10(7-19-8-13(14,15)16)6-9-4-2-3-5-11(9)18-12/h2-6H,7-8H2,1H3,(H,17,18).
What are the key properties of N-methyl-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine?
N-methyl-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine has a molecular weight of 270.25 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2,2,2-trifluoroethoxymethyl)quinolin-2-amine is sourced from PubChem (CID 55044919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).