1-[(3-chloro-2-pyridinyl)oxy]-2-methylbutan-2-amine;hydrochloride

C10H16Cl2N2O — CID 71756745

IUPAC1-[(3-chloro-2-pyridinyl)oxy]-2-methylbutan-2-amine;hydrochloride
SMILESCCC(C)(N)COc1ncccc1Cl.Cl
InChIInChI=1S/C10H15ClN2O.ClH/c1-3-10(2,12)7-14-9-8(11)5-4-6-13-9;/h4-6H,3,7,12H2,1-2H3;1H
InChIKeyJEUOMKJHDVGTIO-UHFFFAOYSA-N
MW251.16 g/mol
LogP2.66
Rot. Bonds4

About 1-[(3-chloro-2-pyridinyl)oxy]-2-methylbutan-2-amine;hydrochloride

1-[(3-chloro-2-pyridinyl)oxy]-2-methylbutan-2-amine;hydrochloride (PubChem CID 71756745) has the molecular formula C10H16Cl2N2O and a molecular weight of 251.16 g/mol. Its IUPAC name is 1-[(3-chloro-2-pyridinyl)oxy]-2-methylbutan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[(3-chloro-2-pyridinyl)oxy]-2-methylbutan-2-amine;hydrochloride
PubChem CID71756745
Molecular FormulaC10H16Cl2N2O
Molecular Weight251.16 g/mol
Exact Mass250.06
IUPAC Name1-[(3-chloro-2-pyridinyl)oxy]-2-methylbutan-2-amine;hydrochloride
SMILESCCC(C)(N)COc1ncccc1Cl.Cl
InChIInChI=1S/C10H15ClN2O.ClH/c1-3-10(2,12)7-14-9-8(11)5-4-6-13-9;/h4-6H,3,7,12H2,1-2H3;1H
InChIKeyJEUOMKJHDVGTIO-UHFFFAOYSA-N
XLogP2.66
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-pyridinyl)oxy]-2-methylbutan-2-amine;hydrochloride?
The IUPAC name of 1-[(3-chloro-2-pyridinyl)oxy]-2-methylbutan-2-amine;hydrochloride (CID 71756745) is 1-[(3-chloro-2-pyridinyl)oxy]-2-methylbutan-2-amine;hydrochloride.
What is the SMILES notation for 1-[(3-chloro-2-pyridinyl)oxy]-2-methylbutan-2-amine;hydrochloride?
The canonical SMILES for 1-[(3-chloro-2-pyridinyl)oxy]-2-methylbutan-2-amine;hydrochloride is CCC(C)(N)COc1ncccc1Cl.Cl.
What is the InChIKey of 1-[(3-chloro-2-pyridinyl)oxy]-2-methylbutan-2-amine;hydrochloride?
The InChIKey is JEUOMKJHDVGTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O.ClH/c1-3-10(2,12)7-14-9-8(11)5-4-6-13-9;/h4-6H,3,7,12H2,1-2H3;1H.
What are the key properties of 1-[(3-chloro-2-pyridinyl)oxy]-2-methylbutan-2-amine;hydrochloride?
1-[(3-chloro-2-pyridinyl)oxy]-2-methylbutan-2-amine;hydrochloride has a molecular weight of 251.16 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-pyridinyl)oxy]-2-methylbutan-2-amine;hydrochloride is sourced from PubChem (CID 71756745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).