8-bromo-2-tert-butyl-6-methyl-N-propylquinolin-4-amine

C17H23BrN2 — CID 63480755

IUPAC8-bromo-2-tert-butyl-6-methyl-N-propylquinolin-4-amine
SMILESCCCNc1cc(C(C)(C)C)nc2c(Br)cc(C)cc12
InChIInChI=1S/C17H23BrN2/c1-6-7-19-14-10-15(17(3,4)5)20-16-12(14)8-11(2)9-13(16)18/h8-10H,6-7H2,1-5H3,(H,19,20)
InChIKeyHYEOETHKXFKZPR-UHFFFAOYSA-N
MW335.29 g/mol
LogP5.43
Rot. Bonds3

About 8-bromo-2-tert-butyl-6-methyl-N-propylquinolin-4-amine

8-bromo-2-tert-butyl-6-methyl-N-propylquinolin-4-amine (PubChem CID 63480755) has the molecular formula C17H23BrN2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 8-bromo-2-tert-butyl-6-methyl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name8-bromo-2-tert-butyl-6-methyl-N-propylquinolin-4-amine
PubChem CID63480755
Molecular FormulaC17H23BrN2
Molecular Weight335.29 g/mol
Exact Mass334.10
IUPAC Name8-bromo-2-tert-butyl-6-methyl-N-propylquinolin-4-amine
SMILESCCCNc1cc(C(C)(C)C)nc2c(Br)cc(C)cc12
InChIInChI=1S/C17H23BrN2/c1-6-7-19-14-10-15(17(3,4)5)20-16-12(14)8-11(2)9-13(16)18/h8-10H,6-7H2,1-5H3,(H,19,20)
InChIKeyHYEOETHKXFKZPR-UHFFFAOYSA-N
XLogP5.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.29
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(8-bromo-2-tert-butyl-6-methylquinolin-4-yl)hydrazine
CID 63482066
6,8-dibromo-2-tert-butyl-N-ethylquinolin-4-amine
CID 55196158
2-tert-butyl-8-methyl-N-propylquinolin-4-amine
CID 63481487
5-bromo-2-tert-butyl-6-fluoro-8-methyl-N-propylquinolin-4-amine
CID 107593976
2-tert-butyl-7,8-dichloro-N-propylquinolin-4-amine
CID 63479601
7-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine
CID 107628611
8-fluoro-6-methyl-2-propan-2-yl-N-propylquinolin-4-amine
CID 63479615
(2-tert-butyl-6,8-dimethylquinolin-4-yl)hydrazine
CID 62251885
8-bromo-N-ethyl-2-(methoxymethyl)-6-methylquinolin-4-amine
CID 62320624
2-tert-butyl-N-ethyl-6,8-difluoroquinolin-4-amine
CID 63480120
5-bromo-8-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 63479785
2-tert-butyl-6-ethyl-N-propylquinolin-4-amine
CID 63479725

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-tert-butyl-6-methyl-N-propylquinolin-4-amine?
The IUPAC name of 8-bromo-2-tert-butyl-6-methyl-N-propylquinolin-4-amine (CID 63480755) is 8-bromo-2-tert-butyl-6-methyl-N-propylquinolin-4-amine.
What is the SMILES notation for 8-bromo-2-tert-butyl-6-methyl-N-propylquinolin-4-amine?
The canonical SMILES for 8-bromo-2-tert-butyl-6-methyl-N-propylquinolin-4-amine is CCCNc1cc(C(C)(C)C)nc2c(Br)cc(C)cc12.
What is the InChIKey of 8-bromo-2-tert-butyl-6-methyl-N-propylquinolin-4-amine?
The InChIKey is HYEOETHKXFKZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2/c1-6-7-19-14-10-15(17(3,4)5)20-16-12(14)8-11(2)9-13(16)18/h8-10H,6-7H2,1-5H3,(H,19,20).
What are the key properties of 8-bromo-2-tert-butyl-6-methyl-N-propylquinolin-4-amine?
8-bromo-2-tert-butyl-6-methyl-N-propylquinolin-4-amine has a molecular weight of 335.29 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-tert-butyl-6-methyl-N-propylquinolin-4-amine is sourced from PubChem (CID 63480755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).