6-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine

C13H13F3N2 — CID 62203089

IUPAC6-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine
SMILESCC(C)c1ccc2nc(C(F)(F)F)cc(N)c2c1
InChIInChI=1S/C13H13F3N2/c1-7(2)8-3-4-11-9(5-8)10(17)6-12(18-11)13(14,15)16/h3-7H,1-2H3,(H2,17,18)
InChIKeyCQZORRCZJAFVGE-UHFFFAOYSA-N
MW254.25 g/mol
LogP3.96
Rot. Bonds1

About 6-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine

6-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 62203089) has the molecular formula C13H13F3N2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 6-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name6-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID62203089
Molecular FormulaC13H13F3N2
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name6-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine
SMILESCC(C)c1ccc2nc(C(F)(F)F)cc(N)c2c1
InChIInChI=1S/C13H13F3N2/c1-7(2)8-3-4-11-9(5-8)10(17)6-12(18-11)13(14,15)16/h3-7H,1-2H3,(H2,17,18)
InChIKeyCQZORRCZJAFVGE-UHFFFAOYSA-N
XLogP3.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 6-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine (CID 62203089) is 6-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 6-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 6-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine is CC(C)c1ccc2nc(C(F)(F)F)cc(N)c2c1.
What is the InChIKey of 6-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is CQZORRCZJAFVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2/c1-7(2)8-3-4-11-9(5-8)10(17)6-12(18-11)13(14,15)16/h3-7H,1-2H3,(H2,17,18).
What are the key properties of 6-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine?
6-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 254.25 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 62203089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).