2-(5-bromo-2,4-dimethylquinolin-6-yl)oxypropan-1-amine

C14H17BrN2O — CID 82580508

IUPAC2-(5-bromo-2,4-dimethylquinolin-6-yl)oxypropan-1-amine
SMILESCc1cc(C)c2c(Br)c(OC(C)CN)ccc2n1
InChIInChI=1S/C14H17BrN2O/c1-8-6-9(2)17-11-4-5-12(14(15)13(8)11)18-10(3)7-16/h4-6,10H,7,16H2,1-3H3
InChIKeyXTRCIHMNMNPJNT-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.34
Rot. Bonds3

About 2-(5-bromo-2,4-dimethylquinolin-6-yl)oxypropan-1-amine

2-(5-bromo-2,4-dimethylquinolin-6-yl)oxypropan-1-amine (PubChem CID 82580508) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 2-(5-bromo-2,4-dimethylquinolin-6-yl)oxypropan-1-amine.

Molecular Properties

Compound Name2-(5-bromo-2,4-dimethylquinolin-6-yl)oxypropan-1-amine
PubChem CID82580508
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name2-(5-bromo-2,4-dimethylquinolin-6-yl)oxypropan-1-amine
SMILESCc1cc(C)c2c(Br)c(OC(C)CN)ccc2n1
InChIInChI=1S/C14H17BrN2O/c1-8-6-9(2)17-11-4-5-12(14(15)13(8)11)18-10(3)7-16/h4-6,10H,7,16H2,1-3H3
InChIKeyXTRCIHMNMNPJNT-UHFFFAOYSA-N
XLogP3.34
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-dimethylquinolin-6-yl)oxypropan-1-amine?
The IUPAC name of 2-(5-bromo-2,4-dimethylquinolin-6-yl)oxypropan-1-amine (CID 82580508) is 2-(5-bromo-2,4-dimethylquinolin-6-yl)oxypropan-1-amine.
What is the SMILES notation for 2-(5-bromo-2,4-dimethylquinolin-6-yl)oxypropan-1-amine?
The canonical SMILES for 2-(5-bromo-2,4-dimethylquinolin-6-yl)oxypropan-1-amine is Cc1cc(C)c2c(Br)c(OC(C)CN)ccc2n1.
What is the InChIKey of 2-(5-bromo-2,4-dimethylquinolin-6-yl)oxypropan-1-amine?
The InChIKey is XTRCIHMNMNPJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-8-6-9(2)17-11-4-5-12(14(15)13(8)11)18-10(3)7-16/h4-6,10H,7,16H2,1-3H3.
What are the key properties of 2-(5-bromo-2,4-dimethylquinolin-6-yl)oxypropan-1-amine?
2-(5-bromo-2,4-dimethylquinolin-6-yl)oxypropan-1-amine has a molecular weight of 309.21 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,4-dimethylquinolin-6-yl)oxypropan-1-amine is sourced from PubChem (CID 82580508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).