2-tert-butyl-N-ethyl-5,6,8-trifluoroquinolin-4-amine

C15H17F3N2 — CID 63484388

IUPAC2-tert-butyl-N-ethyl-5,6,8-trifluoroquinolin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc2c(F)cc(F)c(F)c12
InChIInChI=1S/C15H17F3N2/c1-5-19-10-7-11(15(2,3)4)20-14-9(17)6-8(16)13(18)12(10)14/h6-7H,5H2,1-4H3,(H,19,20)
InChIKeySTJBLONFSZKBEC-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.38
Rot. Bonds2

About 2-tert-butyl-N-ethyl-5,6,8-trifluoroquinolin-4-amine

2-tert-butyl-N-ethyl-5,6,8-trifluoroquinolin-4-amine (PubChem CID 63484388) has the molecular formula C15H17F3N2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-tert-butyl-N-ethyl-5,6,8-trifluoroquinolin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-ethyl-5,6,8-trifluoroquinolin-4-amine
PubChem CID63484388
Molecular FormulaC15H17F3N2
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name2-tert-butyl-N-ethyl-5,6,8-trifluoroquinolin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc2c(F)cc(F)c(F)c12
InChIInChI=1S/C15H17F3N2/c1-5-19-10-7-11(15(2,3)4)20-14-9(17)6-8(16)13(18)12(10)14/h6-7H,5H2,1-4H3,(H,19,20)
InChIKeySTJBLONFSZKBEC-UHFFFAOYSA-N
XLogP4.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.38
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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Launch Full Analysis

Related Compounds

5-bromo-2-tert-butyl-N-ethyl-8-fluoroquinolin-4-amine
CID 63479847
2-(difluoromethyl)-N-ethyl-5,6,8-trifluoroquinolin-4-amine
CID 62893164
2-tert-butyl-N-ethyl-6,8-difluoroquinolin-4-amine
CID 63480120
8-bromo-2-tert-butyl-N-ethyl-5-fluoroquinolin-4-amine
CID 107628952
5,6,8-trifluoro-N-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 62810601
5-bromo-2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine
CID 102854976
2-tert-butyl-8-fluoro-N,5-dimethylquinolin-4-amine
CID 63480563
N,2-diethyl-5,7,8-trifluoroquinolin-4-amine
CID 62813629
5-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine
CID 55194440
2-tert-butyl-8-chloro-N-ethyl-5-methylquinolin-4-amine
CID 107628716
2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine
CID 62196271
N-ethyl-5,7,8-trifluoro-2-propylquinolin-4-amine
CID 63482403

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-ethyl-5,6,8-trifluoroquinolin-4-amine?
The IUPAC name of 2-tert-butyl-N-ethyl-5,6,8-trifluoroquinolin-4-amine (CID 63484388) is 2-tert-butyl-N-ethyl-5,6,8-trifluoroquinolin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-ethyl-5,6,8-trifluoroquinolin-4-amine?
The canonical SMILES for 2-tert-butyl-N-ethyl-5,6,8-trifluoroquinolin-4-amine is CCNc1cc(C(C)(C)C)nc2c(F)cc(F)c(F)c12.
What is the InChIKey of 2-tert-butyl-N-ethyl-5,6,8-trifluoroquinolin-4-amine?
The InChIKey is STJBLONFSZKBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2/c1-5-19-10-7-11(15(2,3)4)20-14-9(17)6-8(16)13(18)12(10)14/h6-7H,5H2,1-4H3,(H,19,20).
What are the key properties of 2-tert-butyl-N-ethyl-5,6,8-trifluoroquinolin-4-amine?
2-tert-butyl-N-ethyl-5,6,8-trifluoroquinolin-4-amine has a molecular weight of 282.31 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-ethyl-5,6,8-trifluoroquinolin-4-amine is sourced from PubChem (CID 63484388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).