8-bromo-N-propan-2-ylquinolin-2-amine

C12H13BrN2 — CID 84639829

IUPAC8-bromo-N-propan-2-ylquinolin-2-amine
SMILESCC(C)Nc1ccc2cccc(Br)c2n1
InChIInChI=1S/C12H13BrN2/c1-8(2)14-11-7-6-9-4-3-5-10(13)12(9)15-11/h3-8H,1-2H3,(H,14,15)
InChIKeyNDWZKODYGXQRRN-UHFFFAOYSA-N
MW265.15 g/mol
LogP3.82
Rot. Bonds2

About 8-bromo-N-propan-2-ylquinolin-2-amine

8-bromo-N-propan-2-ylquinolin-2-amine (PubChem CID 84639829) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 8-bromo-N-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound Name8-bromo-N-propan-2-ylquinolin-2-amine
PubChem CID84639829
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name8-bromo-N-propan-2-ylquinolin-2-amine
SMILESCC(C)Nc1ccc2cccc(Br)c2n1
InChIInChI=1S/C12H13BrN2/c1-8(2)14-11-7-6-9-4-3-5-10(13)12(9)15-11/h3-8H,1-2H3,(H,14,15)
InChIKeyNDWZKODYGXQRRN-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-propan-2-ylquinolin-2-amine?
The IUPAC name of 8-bromo-N-propan-2-ylquinolin-2-amine (CID 84639829) is 8-bromo-N-propan-2-ylquinolin-2-amine.
What is the SMILES notation for 8-bromo-N-propan-2-ylquinolin-2-amine?
The canonical SMILES for 8-bromo-N-propan-2-ylquinolin-2-amine is CC(C)Nc1ccc2cccc(Br)c2n1.
What is the InChIKey of 8-bromo-N-propan-2-ylquinolin-2-amine?
The InChIKey is NDWZKODYGXQRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2/c1-8(2)14-11-7-6-9-4-3-5-10(13)12(9)15-11/h3-8H,1-2H3,(H,14,15).
What are the key properties of 8-bromo-N-propan-2-ylquinolin-2-amine?
8-bromo-N-propan-2-ylquinolin-2-amine has a molecular weight of 265.15 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 84639829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).