N-ethyl-3-propyl-6-(trifluoromethyl)quinolin-2-amine

C15H17F3N2 — CID 63524536

IUPACN-ethyl-3-propyl-6-(trifluoromethyl)quinolin-2-amine
SMILESCCCc1cc2cc(C(F)(F)F)ccc2nc1NCC
InChIInChI=1S/C15H17F3N2/c1-3-5-10-8-11-9-12(15(16,17)18)6-7-13(11)20-14(10)19-4-2/h6-9H,3-5H2,1-2H3,(H,19,20)
InChIKeyQLASMPRVVUMKGU-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.64
Rot. Bonds4

About N-ethyl-3-propyl-6-(trifluoromethyl)quinolin-2-amine

N-ethyl-3-propyl-6-(trifluoromethyl)quinolin-2-amine (PubChem CID 63524536) has the molecular formula C15H17F3N2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-ethyl-3-propyl-6-(trifluoromethyl)quinolin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-propyl-6-(trifluoromethyl)quinolin-2-amine
PubChem CID63524536
Molecular FormulaC15H17F3N2
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC NameN-ethyl-3-propyl-6-(trifluoromethyl)quinolin-2-amine
SMILESCCCc1cc2cc(C(F)(F)F)ccc2nc1NCC
InChIInChI=1S/C15H17F3N2/c1-3-5-10-8-11-9-12(15(16,17)18)6-7-13(11)20-14(10)19-4-2/h6-9H,3-5H2,1-2H3,(H,19,20)
InChIKeyQLASMPRVVUMKGU-UHFFFAOYSA-N
XLogP4.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-propyl-6-(trifluoromethyl)quinolin-2-amine?
The IUPAC name of N-ethyl-3-propyl-6-(trifluoromethyl)quinolin-2-amine (CID 63524536) is N-ethyl-3-propyl-6-(trifluoromethyl)quinolin-2-amine.
What is the SMILES notation for N-ethyl-3-propyl-6-(trifluoromethyl)quinolin-2-amine?
The canonical SMILES for N-ethyl-3-propyl-6-(trifluoromethyl)quinolin-2-amine is CCCc1cc2cc(C(F)(F)F)ccc2nc1NCC.
What is the InChIKey of N-ethyl-3-propyl-6-(trifluoromethyl)quinolin-2-amine?
The InChIKey is QLASMPRVVUMKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2/c1-3-5-10-8-11-9-12(15(16,17)18)6-7-13(11)20-14(10)19-4-2/h6-9H,3-5H2,1-2H3,(H,19,20).
What are the key properties of N-ethyl-3-propyl-6-(trifluoromethyl)quinolin-2-amine?
N-ethyl-3-propyl-6-(trifluoromethyl)quinolin-2-amine has a molecular weight of 282.31 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-propyl-6-(trifluoromethyl)quinolin-2-amine is sourced from PubChem (CID 63524536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).