5-methyl-2-(trifluoromethyl)quinolin-6-amine

C11H9F3N2 — CID 150996753

IUPAC5-methyl-2-(trifluoromethyl)quinolin-6-amine
SMILESCc1c(N)ccc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C11H9F3N2/c1-6-7-2-5-10(11(12,13)14)16-9(7)4-3-8(6)15/h2-5H,15H2,1H3
InChIKeyLTGKQVQVMUITNO-UHFFFAOYSA-N
MW226.20 g/mol
LogP3.14
Rot. Bonds

About 5-methyl-2-(trifluoromethyl)quinolin-6-amine

5-methyl-2-(trifluoromethyl)quinolin-6-amine (PubChem CID 150996753) has the molecular formula C11H9F3N2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 5-methyl-2-(trifluoromethyl)quinolin-6-amine.

Molecular Properties

Compound Name5-methyl-2-(trifluoromethyl)quinolin-6-amine
PubChem CID150996753
Molecular FormulaC11H9F3N2
Molecular Weight226.20 g/mol
Exact Mass226.07
IUPAC Name5-methyl-2-(trifluoromethyl)quinolin-6-amine
SMILESCc1c(N)ccc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C11H9F3N2/c1-6-7-2-5-10(11(12,13)14)16-9(7)4-3-8(6)15/h2-5H,15H2,1H3
InChIKeyLTGKQVQVMUITNO-UHFFFAOYSA-N
XLogP3.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(trifluoromethyl)quinolin-6-amine?
The IUPAC name of 5-methyl-2-(trifluoromethyl)quinolin-6-amine (CID 150996753) is 5-methyl-2-(trifluoromethyl)quinolin-6-amine.
What is the SMILES notation for 5-methyl-2-(trifluoromethyl)quinolin-6-amine?
The canonical SMILES for 5-methyl-2-(trifluoromethyl)quinolin-6-amine is Cc1c(N)ccc2nc(C(F)(F)F)ccc12.
What is the InChIKey of 5-methyl-2-(trifluoromethyl)quinolin-6-amine?
The InChIKey is LTGKQVQVMUITNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2/c1-6-7-2-5-10(11(12,13)14)16-9(7)4-3-8(6)15/h2-5H,15H2,1H3.
What are the key properties of 5-methyl-2-(trifluoromethyl)quinolin-6-amine?
5-methyl-2-(trifluoromethyl)quinolin-6-amine has a molecular weight of 226.20 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(trifluoromethyl)quinolin-6-amine is sourced from PubChem (CID 150996753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).