6-bromo-3-propan-2-ylquinolin-2-amine

C12H13BrN2 — CID 63232762

IUPAC6-bromo-3-propan-2-ylquinolin-2-amine
SMILESCC(C)c1cc2cc(Br)ccc2nc1N
InChIInChI=1S/C12H13BrN2/c1-7(2)10-6-8-5-9(13)3-4-11(8)15-12(10)14/h3-7H,1-2H3,(H2,14,15)
InChIKeyUBXFYPCFXCADEQ-UHFFFAOYSA-N
MW265.15 g/mol
LogP3.70
Rot. Bonds1

About 6-bromo-3-propan-2-ylquinolin-2-amine

6-bromo-3-propan-2-ylquinolin-2-amine (PubChem CID 63232762) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 6-bromo-3-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound Name6-bromo-3-propan-2-ylquinolin-2-amine
PubChem CID63232762
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name6-bromo-3-propan-2-ylquinolin-2-amine
SMILESCC(C)c1cc2cc(Br)ccc2nc1N
InChIInChI=1S/C12H13BrN2/c1-7(2)10-6-8-5-9(13)3-4-11(8)15-12(10)14/h3-7H,1-2H3,(H2,14,15)
InChIKeyUBXFYPCFXCADEQ-UHFFFAOYSA-N
XLogP3.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-propan-2-ylquinolin-2-amine?
The IUPAC name of 6-bromo-3-propan-2-ylquinolin-2-amine (CID 63232762) is 6-bromo-3-propan-2-ylquinolin-2-amine.
What is the SMILES notation for 6-bromo-3-propan-2-ylquinolin-2-amine?
The canonical SMILES for 6-bromo-3-propan-2-ylquinolin-2-amine is CC(C)c1cc2cc(Br)ccc2nc1N.
What is the InChIKey of 6-bromo-3-propan-2-ylquinolin-2-amine?
The InChIKey is UBXFYPCFXCADEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2/c1-7(2)10-6-8-5-9(13)3-4-11(8)15-12(10)14/h3-7H,1-2H3,(H2,14,15).
What are the key properties of 6-bromo-3-propan-2-ylquinolin-2-amine?
6-bromo-3-propan-2-ylquinolin-2-amine has a molecular weight of 265.15 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 63232762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).