1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride

C9H13Cl3N2O — CID 71756744

IUPAC1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)COc1ncc(Cl)cc1Cl.Cl
InChIInChI=1S/C9H12Cl2N2O.ClH/c1-9(2,12)5-14-8-7(11)3-6(10)4-13-8;/h3-4H,5,12H2,1-2H3;1H
InChIKeyUPXUJKIPNGGZBA-UHFFFAOYSA-N
MW271.57 g/mol
LogP2.93
Rot. Bonds3

About 1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride

1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride (PubChem CID 71756744) has the molecular formula C9H13Cl3N2O and a molecular weight of 271.57 g/mol. Its IUPAC name is 1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride
PubChem CID71756744
Molecular FormulaC9H13Cl3N2O
Molecular Weight271.57 g/mol
Exact Mass270.01
IUPAC Name1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)COc1ncc(Cl)cc1Cl.Cl
InChIInChI=1S/C9H12Cl2N2O.ClH/c1-9(2,12)5-14-8-7(11)3-6(10)4-13-8;/h3-4H,5,12H2,1-2H3;1H
InChIKeyUPXUJKIPNGGZBA-UHFFFAOYSA-N
XLogP2.93
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.57
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride (CID 71756744) is 1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride is CC(C)(N)COc1ncc(Cl)cc1Cl.Cl.
What is the InChIKey of 1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride?
The InChIKey is UPXUJKIPNGGZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O.ClH/c1-9(2,12)5-14-8-7(11)3-6(10)4-13-8;/h3-4H,5,12H2,1-2H3;1H.
What are the key properties of 1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride?
1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride has a molecular weight of 271.57 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 71756744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).