N-methyl-3-propyl-6-(2,2,2-trifluoroethoxy)quinolin-2-amine

C15H17F3N2O — CID 63530385

IUPACN-methyl-3-propyl-6-(2,2,2-trifluoroethoxy)quinolin-2-amine
SMILESCCCc1cc2cc(OCC(F)(F)F)ccc2nc1NC
InChIInChI=1S/C15H17F3N2O/c1-3-4-10-7-11-8-12(21-9-15(16,17)18)5-6-13(11)20-14(10)19-2/h5-8H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyLSLZXRIPPWMCKP-UHFFFAOYSA-N
MW298.31 g/mol
LogP4.17
Rot. Bonds5

About N-methyl-3-propyl-6-(2,2,2-trifluoroethoxy)quinolin-2-amine

N-methyl-3-propyl-6-(2,2,2-trifluoroethoxy)quinolin-2-amine (PubChem CID 63530385) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is N-methyl-3-propyl-6-(2,2,2-trifluoroethoxy)quinolin-2-amine.

Molecular Properties

Compound NameN-methyl-3-propyl-6-(2,2,2-trifluoroethoxy)quinolin-2-amine
PubChem CID63530385
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC NameN-methyl-3-propyl-6-(2,2,2-trifluoroethoxy)quinolin-2-amine
SMILESCCCc1cc2cc(OCC(F)(F)F)ccc2nc1NC
InChIInChI=1S/C15H17F3N2O/c1-3-4-10-7-11-8-12(21-9-15(16,17)18)5-6-13(11)20-14(10)19-2/h5-8H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyLSLZXRIPPWMCKP-UHFFFAOYSA-N
XLogP4.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-propyl-6-(2,2,2-trifluoroethoxy)quinolin-2-amine?
The IUPAC name of N-methyl-3-propyl-6-(2,2,2-trifluoroethoxy)quinolin-2-amine (CID 63530385) is N-methyl-3-propyl-6-(2,2,2-trifluoroethoxy)quinolin-2-amine.
What is the SMILES notation for N-methyl-3-propyl-6-(2,2,2-trifluoroethoxy)quinolin-2-amine?
The canonical SMILES for N-methyl-3-propyl-6-(2,2,2-trifluoroethoxy)quinolin-2-amine is CCCc1cc2cc(OCC(F)(F)F)ccc2nc1NC.
What is the InChIKey of N-methyl-3-propyl-6-(2,2,2-trifluoroethoxy)quinolin-2-amine?
The InChIKey is LSLZXRIPPWMCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-3-4-10-7-11-8-12(21-9-15(16,17)18)5-6-13(11)20-14(10)19-2/h5-8H,3-4,9H2,1-2H3,(H,19,20).
What are the key properties of N-methyl-3-propyl-6-(2,2,2-trifluoroethoxy)quinolin-2-amine?
N-methyl-3-propyl-6-(2,2,2-trifluoroethoxy)quinolin-2-amine has a molecular weight of 298.31 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-propyl-6-(2,2,2-trifluoroethoxy)quinolin-2-amine is sourced from PubChem (CID 63530385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).