1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride

C9H14BrClN2O — CID 71756793

IUPAC1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)COc1ncccc1Br.Cl
InChIInChI=1S/C9H13BrN2O.ClH/c1-9(2,11)6-13-8-7(10)4-3-5-12-8;/h3-5H,6,11H2,1-2H3;1H
InChIKeyXHINVTCWNAYYFM-UHFFFAOYSA-N
MW281.58 g/mol
LogP2.38
Rot. Bonds3

About 1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride

1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride (PubChem CID 71756793) has the molecular formula C9H14BrClN2O and a molecular weight of 281.58 g/mol. Its IUPAC name is 1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride
PubChem CID71756793
Molecular FormulaC9H14BrClN2O
Molecular Weight281.58 g/mol
Exact Mass280.00
IUPAC Name1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)COc1ncccc1Br.Cl
InChIInChI=1S/C9H13BrN2O.ClH/c1-9(2,11)6-13-8-7(10)4-3-5-12-8;/h3-5H,6,11H2,1-2H3;1H
InChIKeyXHINVTCWNAYYFM-UHFFFAOYSA-N
XLogP2.38
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.58
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride (CID 71756793) is 1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride is CC(C)(N)COc1ncccc1Br.Cl.
What is the InChIKey of 1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride?
The InChIKey is XHINVTCWNAYYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O.ClH/c1-9(2,11)6-13-8-7(10)4-3-5-12-8;/h3-5H,6,11H2,1-2H3;1H.
What are the key properties of 1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride?
1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride has a molecular weight of 281.58 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 71756793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).