3-tert-butyl-N-ethyl-8-(trifluoromethyl)quinolin-2-amine

C16H19F3N2 — CID 63385895

IUPAC3-tert-butyl-N-ethyl-8-(trifluoromethyl)quinolin-2-amine
SMILESCCNc1nc2c(C(F)(F)F)cccc2cc1C(C)(C)C
InChIInChI=1S/C16H19F3N2/c1-5-20-14-12(15(2,3)4)9-10-7-6-8-11(13(10)21-14)16(17,18)19/h6-9H,5H2,1-4H3,(H,20,21)
InChIKeyQSRQWFYYDKPHHE-UHFFFAOYSA-N
MW296.34 g/mol
LogP4.98
Rot. Bonds2

About 3-tert-butyl-N-ethyl-8-(trifluoromethyl)quinolin-2-amine

3-tert-butyl-N-ethyl-8-(trifluoromethyl)quinolin-2-amine (PubChem CID 63385895) has the molecular formula C16H19F3N2 and a molecular weight of 296.34 g/mol. Its IUPAC name is 3-tert-butyl-N-ethyl-8-(trifluoromethyl)quinolin-2-amine.

Molecular Properties

Compound Name3-tert-butyl-N-ethyl-8-(trifluoromethyl)quinolin-2-amine
PubChem CID63385895
Molecular FormulaC16H19F3N2
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name3-tert-butyl-N-ethyl-8-(trifluoromethyl)quinolin-2-amine
SMILESCCNc1nc2c(C(F)(F)F)cccc2cc1C(C)(C)C
InChIInChI=1S/C16H19F3N2/c1-5-20-14-12(15(2,3)4)9-10-7-6-8-11(13(10)21-14)16(17,18)19/h6-9H,5H2,1-4H3,(H,20,21)
InChIKeyQSRQWFYYDKPHHE-UHFFFAOYSA-N
XLogP4.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-8-chloro-N-propylquinolin-2-amine
CID 55184386
6,8-dibromo-3-tert-butyl-N-ethylquinolin-2-amine
CID 63385970
3-tert-butyl-8-ethoxy-N-propylquinolin-2-amine
CID 63382523
N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
N-methyl-3-propan-2-yl-8-(trifluoromethyl)quinolin-2-amine
CID 63232729
2,8-ditert-butyl-3-fluoroquinoline
CID 134411092
1-tert-butyl-8-(trifluoromethyl)naphthalene
CID 155794359
3-chloro-2,8-bis(trifluoromethyl)quinoline
CID 22730365
4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141176474
2-chloro-3-methoxy-8-(trifluoromethyl)quinoline
CID 117246675
8-chloro-N-ethyl-3-propylquinolin-2-amine
CID 55224873
2-(2,2,4,4-tetramethylpentan-3-yl)-8-(trifluoromethyl)quinoline
CID 140769903

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-ethyl-8-(trifluoromethyl)quinolin-2-amine?
The IUPAC name of 3-tert-butyl-N-ethyl-8-(trifluoromethyl)quinolin-2-amine (CID 63385895) is 3-tert-butyl-N-ethyl-8-(trifluoromethyl)quinolin-2-amine.
What is the SMILES notation for 3-tert-butyl-N-ethyl-8-(trifluoromethyl)quinolin-2-amine?
The canonical SMILES for 3-tert-butyl-N-ethyl-8-(trifluoromethyl)quinolin-2-amine is CCNc1nc2c(C(F)(F)F)cccc2cc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-N-ethyl-8-(trifluoromethyl)quinolin-2-amine?
The InChIKey is QSRQWFYYDKPHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2/c1-5-20-14-12(15(2,3)4)9-10-7-6-8-11(13(10)21-14)16(17,18)19/h6-9H,5H2,1-4H3,(H,20,21).
What are the key properties of 3-tert-butyl-N-ethyl-8-(trifluoromethyl)quinolin-2-amine?
3-tert-butyl-N-ethyl-8-(trifluoromethyl)quinolin-2-amine has a molecular weight of 296.34 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-ethyl-8-(trifluoromethyl)quinolin-2-amine is sourced from PubChem (CID 63385895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).