8-bromo-3-tert-butylquinolin-2-amine

C13H15BrN2 — CID 63382033

IUPAC8-bromo-3-tert-butylquinolin-2-amine
SMILESCC(C)(C)c1cc2cccc(Br)c2nc1N
InChIInChI=1S/C13H15BrN2/c1-13(2,3)9-7-8-5-4-6-10(14)11(8)16-12(9)15/h4-7H,1-3H3,(H2,15,16)
InChIKeyFTHSIRPZDVODDT-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.88
Rot. Bonds

About 8-bromo-3-tert-butylquinolin-2-amine

8-bromo-3-tert-butylquinolin-2-amine (PubChem CID 63382033) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 8-bromo-3-tert-butylquinolin-2-amine.

Molecular Properties

Compound Name8-bromo-3-tert-butylquinolin-2-amine
PubChem CID63382033
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name8-bromo-3-tert-butylquinolin-2-amine
SMILESCC(C)(C)c1cc2cccc(Br)c2nc1N
InChIInChI=1S/C13H15BrN2/c1-13(2,3)9-7-8-5-4-6-10(14)11(8)16-12(9)15/h4-7H,1-3H3,(H2,15,16)
InChIKeyFTHSIRPZDVODDT-UHFFFAOYSA-N
XLogP3.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-tert-butylquinolin-2-amine?
The IUPAC name of 8-bromo-3-tert-butylquinolin-2-amine (CID 63382033) is 8-bromo-3-tert-butylquinolin-2-amine.
What is the SMILES notation for 8-bromo-3-tert-butylquinolin-2-amine?
The canonical SMILES for 8-bromo-3-tert-butylquinolin-2-amine is CC(C)(C)c1cc2cccc(Br)c2nc1N.
What is the InChIKey of 8-bromo-3-tert-butylquinolin-2-amine?
The InChIKey is FTHSIRPZDVODDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-13(2,3)9-7-8-5-4-6-10(14)11(8)16-12(9)15/h4-7H,1-3H3,(H2,15,16).
What are the key properties of 8-bromo-3-tert-butylquinolin-2-amine?
8-bromo-3-tert-butylquinolin-2-amine has a molecular weight of 279.18 g/mol, XLogP of 3.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-tert-butylquinolin-2-amine is sourced from PubChem (CID 63382033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).