N-pentan-3-yl-6-(trifluoromethyl)quinolin-2-amine

C15H17F3N2 — CID 70133978

IUPACN-pentan-3-yl-6-(trifluoromethyl)quinolin-2-amine
SMILESCCC(CC)Nc1ccc2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C15H17F3N2/c1-3-12(4-2)19-14-8-5-10-9-11(15(16,17)18)6-7-13(10)20-14/h5-9,12H,3-4H2,1-2H3,(H,19,20)
InChIKeyOODRCLXPYARSRH-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.85
Rot. Bonds4

About N-pentan-3-yl-6-(trifluoromethyl)quinolin-2-amine

N-pentan-3-yl-6-(trifluoromethyl)quinolin-2-amine (PubChem CID 70133978) has the molecular formula C15H17F3N2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-pentan-3-yl-6-(trifluoromethyl)quinolin-2-amine.

Molecular Properties

Compound NameN-pentan-3-yl-6-(trifluoromethyl)quinolin-2-amine
PubChem CID70133978
Molecular FormulaC15H17F3N2
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC NameN-pentan-3-yl-6-(trifluoromethyl)quinolin-2-amine
SMILESCCC(CC)Nc1ccc2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C15H17F3N2/c1-3-12(4-2)19-14-8-5-10-9-11(15(16,17)18)6-7-13(10)20-14/h5-9,12H,3-4H2,1-2H3,(H,19,20)
InChIKeyOODRCLXPYARSRH-UHFFFAOYSA-N
XLogP4.85
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 ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-pentan-3-yl-6-(trifluoromethyl)quinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-6-(trifluoromethyl)quinolin-2-amine?
The IUPAC name of N-pentan-3-yl-6-(trifluoromethyl)quinolin-2-amine (CID 70133978) is N-pentan-3-yl-6-(trifluoromethyl)quinolin-2-amine.
What is the SMILES notation for N-pentan-3-yl-6-(trifluoromethyl)quinolin-2-amine?
The canonical SMILES for N-pentan-3-yl-6-(trifluoromethyl)quinolin-2-amine is CCC(CC)Nc1ccc2cc(C(F)(F)F)ccc2n1.
What is the InChIKey of N-pentan-3-yl-6-(trifluoromethyl)quinolin-2-amine?
The InChIKey is OODRCLXPYARSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2/c1-3-12(4-2)19-14-8-5-10-9-11(15(16,17)18)6-7-13(10)20-14/h5-9,12H,3-4H2,1-2H3,(H,19,20).
What are the key properties of N-pentan-3-yl-6-(trifluoromethyl)quinolin-2-amine?
N-pentan-3-yl-6-(trifluoromethyl)quinolin-2-amine has a molecular weight of 282.31 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-6-(trifluoromethyl)quinolin-2-amine is sourced from PubChem (CID 70133978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).