2-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)quinolin-4-amine

C15H18F3N3 — CID 63373834

IUPAC2-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)quinolin-4-amine
SMILESCCNCc1cc(N(C)CC(F)(F)F)c2ccccc2n1
InChIInChI=1S/C15H18F3N3/c1-3-19-9-11-8-14(21(2)10-15(16,17)18)12-6-4-5-7-13(12)20-11/h4-8,19H,3,9-10H2,1-2H3
InChIKeyWSNHDEDDPIADLW-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.34
Rot. Bonds5

About 2-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)quinolin-4-amine

2-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)quinolin-4-amine (PubChem CID 63373834) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)quinolin-4-amine.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)quinolin-4-amine
PubChem CID63373834
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name2-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)quinolin-4-amine
SMILESCCNCc1cc(N(C)CC(F)(F)F)c2ccccc2n1
InChIInChI=1S/C15H18F3N3/c1-3-19-9-11-8-14(21(2)10-15(16,17)18)12-6-4-5-7-13(12)20-11/h4-8,19H,3,9-10H2,1-2H3
InChIKeyWSNHDEDDPIADLW-UHFFFAOYSA-N
XLogP3.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)quinolin-4-amine?
The IUPAC name of 2-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)quinolin-4-amine (CID 63373834) is 2-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)quinolin-4-amine.
What is the SMILES notation for 2-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)quinolin-4-amine?
The canonical SMILES for 2-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)quinolin-4-amine is CCNCc1cc(N(C)CC(F)(F)F)c2ccccc2n1.
What is the InChIKey of 2-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)quinolin-4-amine?
The InChIKey is WSNHDEDDPIADLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-3-19-9-11-8-14(21(2)10-15(16,17)18)12-6-4-5-7-13(12)20-11/h4-8,19H,3,9-10H2,1-2H3.
What are the key properties of 2-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)quinolin-4-amine?
2-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)quinolin-4-amine has a molecular weight of 297.32 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)quinolin-4-amine is sourced from PubChem (CID 63373834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).