4-[(5-bromo-3-pyridinyl)oxy]-2,2-dimethylbutan-1-amine

C11H17BrN2O — CID 65249343

IUPAC4-[(5-bromo-3-pyridinyl)oxy]-2,2-dimethylbutan-1-amine
SMILESCC(C)(CN)CCOc1cncc(Br)c1
InChIInChI=1S/C11H17BrN2O/c1-11(2,8-13)3-4-15-10-5-9(12)6-14-7-10/h5-7H,3-4,8,13H2,1-2H3
InChIKeyQKNCQUKBDPUKGB-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.60
Rot. Bonds5

About 4-[(5-bromo-3-pyridinyl)oxy]-2,2-dimethylbutan-1-amine

4-[(5-bromo-3-pyridinyl)oxy]-2,2-dimethylbutan-1-amine (PubChem CID 65249343) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 4-[(5-bromo-3-pyridinyl)oxy]-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-[(5-bromo-3-pyridinyl)oxy]-2,2-dimethylbutan-1-amine
PubChem CID65249343
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name4-[(5-bromo-3-pyridinyl)oxy]-2,2-dimethylbutan-1-amine
SMILESCC(C)(CN)CCOc1cncc(Br)c1
InChIInChI=1S/C11H17BrN2O/c1-11(2,8-13)3-4-15-10-5-9(12)6-14-7-10/h5-7H,3-4,8,13H2,1-2H3
InChIKeyQKNCQUKBDPUKGB-UHFFFAOYSA-N
XLogP2.60
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-3-pyridinyl)oxy]-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-[(5-bromo-3-pyridinyl)oxy]-2,2-dimethylbutan-1-amine (CID 65249343) is 4-[(5-bromo-3-pyridinyl)oxy]-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-[(5-bromo-3-pyridinyl)oxy]-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-[(5-bromo-3-pyridinyl)oxy]-2,2-dimethylbutan-1-amine is CC(C)(CN)CCOc1cncc(Br)c1.
What is the InChIKey of 4-[(5-bromo-3-pyridinyl)oxy]-2,2-dimethylbutan-1-amine?
The InChIKey is QKNCQUKBDPUKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-11(2,8-13)3-4-15-10-5-9(12)6-14-7-10/h5-7H,3-4,8,13H2,1-2H3.
What are the key properties of 4-[(5-bromo-3-pyridinyl)oxy]-2,2-dimethylbutan-1-amine?
4-[(5-bromo-3-pyridinyl)oxy]-2,2-dimethylbutan-1-amine has a molecular weight of 273.17 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-3-pyridinyl)oxy]-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 65249343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).