5,6,8-trifluoro-3-propan-2-yl-N-propylquinolin-2-amine

C15H17F3N2 — CID 63524202

IUPAC5,6,8-trifluoro-3-propan-2-yl-N-propylquinolin-2-amine
SMILESCCCNc1nc2c(F)cc(F)c(F)c2cc1C(C)C
InChIInChI=1S/C15H17F3N2/c1-4-5-19-15-9(8(2)3)6-10-13(18)11(16)7-12(17)14(10)20-15/h6-8H,4-5H2,1-3H3,(H,19,20)
InChIKeyXEFIHYUQPKUPQG-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.60
Rot. Bonds4

About 5,6,8-trifluoro-3-propan-2-yl-N-propylquinolin-2-amine

5,6,8-trifluoro-3-propan-2-yl-N-propylquinolin-2-amine (PubChem CID 63524202) has the molecular formula C15H17F3N2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 5,6,8-trifluoro-3-propan-2-yl-N-propylquinolin-2-amine.

Molecular Properties

Compound Name5,6,8-trifluoro-3-propan-2-yl-N-propylquinolin-2-amine
PubChem CID63524202
Molecular FormulaC15H17F3N2
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name5,6,8-trifluoro-3-propan-2-yl-N-propylquinolin-2-amine
SMILESCCCNc1nc2c(F)cc(F)c(F)c2cc1C(C)C
InChIInChI=1S/C15H17F3N2/c1-4-5-19-15-9(8(2)3)6-10-13(18)11(16)7-12(17)14(10)20-15/h6-8H,4-5H2,1-3H3,(H,19,20)
InChIKeyXEFIHYUQPKUPQG-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,8-trifluoro-3-propan-2-yl-N-propylquinolin-2-amine?
The IUPAC name of 5,6,8-trifluoro-3-propan-2-yl-N-propylquinolin-2-amine (CID 63524202) is 5,6,8-trifluoro-3-propan-2-yl-N-propylquinolin-2-amine.
What is the SMILES notation for 5,6,8-trifluoro-3-propan-2-yl-N-propylquinolin-2-amine?
The canonical SMILES for 5,6,8-trifluoro-3-propan-2-yl-N-propylquinolin-2-amine is CCCNc1nc2c(F)cc(F)c(F)c2cc1C(C)C.
What is the InChIKey of 5,6,8-trifluoro-3-propan-2-yl-N-propylquinolin-2-amine?
The InChIKey is XEFIHYUQPKUPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2/c1-4-5-19-15-9(8(2)3)6-10-13(18)11(16)7-12(17)14(10)20-15/h6-8H,4-5H2,1-3H3,(H,19,20).
What are the key properties of 5,6,8-trifluoro-3-propan-2-yl-N-propylquinolin-2-amine?
5,6,8-trifluoro-3-propan-2-yl-N-propylquinolin-2-amine has a molecular weight of 282.31 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,8-trifluoro-3-propan-2-yl-N-propylquinolin-2-amine is sourced from PubChem (CID 63524202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).