5-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine

C16H21BrN2 — CID 55194440

IUPAC5-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc2c(C)ccc(Br)c12
InChIInChI=1S/C16H21BrN2/c1-6-18-12-9-13(16(3,4)5)19-15-10(2)7-8-11(17)14(12)15/h7-9H,6H2,1-5H3,(H,18,19)
InChIKeyDWIXVEJXXVBTAO-UHFFFAOYSA-N
MW321.26 g/mol
LogP5.04
Rot. Bonds2

About 5-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine

5-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine (PubChem CID 55194440) has the molecular formula C16H21BrN2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 5-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine.

Molecular Properties

Compound Name5-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine
PubChem CID55194440
Molecular FormulaC16H21BrN2
Molecular Weight321.26 g/mol
Exact Mass320.09
IUPAC Name5-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc2c(C)ccc(Br)c12
InChIInChI=1S/C16H21BrN2/c1-6-18-12-9-13(16(3,4)5)19-15-10(2)7-8-11(17)14(12)15/h7-9H,6H2,1-5H3,(H,18,19)
InChIKeyDWIXVEJXXVBTAO-UHFFFAOYSA-N
XLogP5.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.26
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-tert-butyl-N-ethyl-8-fluoroquinolin-4-amine
CID 63479847
7-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine
CID 107628611
5-bromo-8-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 63479785
8-bromo-2-tert-butyl-N-ethyl-5-fluoroquinolin-4-amine
CID 107628952
8-bromo-N-ethyl-5-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 82758076
5-bromo-2-(difluoromethyl)-N-ethyl-8-methylquinolin-4-amine
CID 62891074
2-tert-butyl-8-chloro-N-ethyl-5-methylquinolin-4-amine
CID 107628716
6,8-dibromo-2-tert-butyl-N-ethylquinolin-4-amine
CID 55196158
5-bromo-2-tert-butyl-6-fluoro-8-methyl-N-propylquinolin-4-amine
CID 107593976
2-tert-butyl-N-ethyl-5,6,8-trifluoroquinolin-4-amine
CID 63484388
N-ethyl-5,8-dimethyl-2-propylquinolin-4-amine
CID 63481279
(7-bromo-2-tert-butyl-8-methylquinolin-4-yl)hydrazine
CID 107629079

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine?
The IUPAC name of 5-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine (CID 55194440) is 5-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine.
What is the SMILES notation for 5-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine?
The canonical SMILES for 5-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine is CCNc1cc(C(C)(C)C)nc2c(C)ccc(Br)c12.
What is the InChIKey of 5-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine?
The InChIKey is DWIXVEJXXVBTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2/c1-6-18-12-9-13(16(3,4)5)19-15-10(2)7-8-11(17)14(12)15/h7-9H,6H2,1-5H3,(H,18,19).
What are the key properties of 5-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine?
5-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine has a molecular weight of 321.26 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine is sourced from PubChem (CID 55194440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).