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

C9H12Cl2N2O — CID 64538227

IUPAC1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-amine
SMILESCC(C)(N)COc1ncc(Cl)cc1Cl
InChIInChI=1S/C9H12Cl2N2O/c1-9(2,12)5-14-8-7(11)3-6(10)4-13-8/h3-4H,5,12H2,1-2H3
InChIKeyJUHLIKLCPFQNOA-UHFFFAOYSA-N
MW235.11 g/mol
LogP2.50
Rot. Bonds3

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

1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-amine (PubChem CID 64538227) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is 1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-amine
PubChem CID64538227
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-amine
SMILESCC(C)(N)COc1ncc(Cl)cc1Cl
InChIInChI=1S/C9H12Cl2N2O/c1-9(2,12)5-14-8-7(11)3-6(10)4-13-8/h3-4H,5,12H2,1-2H3
InChIKeyJUHLIKLCPFQNOA-UHFFFAOYSA-N
XLogP2.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 52.50
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?
The IUPAC name of 1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-amine (CID 64538227) is 1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-amine?
The canonical SMILES for 1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-amine is CC(C)(N)COc1ncc(Cl)cc1Cl.
What is the InChIKey of 1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-amine?
The InChIKey is JUHLIKLCPFQNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O/c1-9(2,12)5-14-8-7(11)3-6(10)4-13-8/h3-4H,5,12H2,1-2H3.
What are the key properties of 1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-amine?
1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-amine has a molecular weight of 235.11 g/mol, XLogP of 2.50, 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 is sourced from PubChem (CID 64538227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).