3,5-dichloro-N-methyl-6-(2-propan-2-ylphenoxy)pyridin-2-amine

C15H16Cl2N2O — CID 102760710

IUPAC3,5-dichloro-N-methyl-6-(2-propan-2-ylphenoxy)pyridin-2-amine
SMILESCNc1nc(Oc2ccccc2C(C)C)c(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2O/c1-9(2)10-6-4-5-7-13(10)20-15-12(17)8-11(16)14(18-3)19-15/h4-9H,1-3H3,(H,18,19)
InChIKeyKYOTZLKJUUCGGC-UHFFFAOYSA-N
MW311.21 g/mol
LogP5.35
Rot. Bonds4

About 3,5-dichloro-N-methyl-6-(2-propan-2-ylphenoxy)pyridin-2-amine

3,5-dichloro-N-methyl-6-(2-propan-2-ylphenoxy)pyridin-2-amine (PubChem CID 102760710) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 3,5-dichloro-N-methyl-6-(2-propan-2-ylphenoxy)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-methyl-6-(2-propan-2-ylphenoxy)pyridin-2-amine
PubChem CID102760710
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name3,5-dichloro-N-methyl-6-(2-propan-2-ylphenoxy)pyridin-2-amine
SMILESCNc1nc(Oc2ccccc2C(C)C)c(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2O/c1-9(2)10-6-4-5-7-13(10)20-15-12(17)8-11(16)14(18-3)19-15/h4-9H,1-3H3,(H,18,19)
InChIKeyKYOTZLKJUUCGGC-UHFFFAOYSA-N
XLogP5.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.21
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-methyl-6-(2-propan-2-ylphenoxy)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-methyl-6-(2-propan-2-ylphenoxy)pyridin-2-amine (CID 102760710) is 3,5-dichloro-N-methyl-6-(2-propan-2-ylphenoxy)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-methyl-6-(2-propan-2-ylphenoxy)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-methyl-6-(2-propan-2-ylphenoxy)pyridin-2-amine is CNc1nc(Oc2ccccc2C(C)C)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-methyl-6-(2-propan-2-ylphenoxy)pyridin-2-amine?
The InChIKey is KYOTZLKJUUCGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-9(2)10-6-4-5-7-13(10)20-15-12(17)8-11(16)14(18-3)19-15/h4-9H,1-3H3,(H,18,19).
What are the key properties of 3,5-dichloro-N-methyl-6-(2-propan-2-ylphenoxy)pyridin-2-amine?
3,5-dichloro-N-methyl-6-(2-propan-2-ylphenoxy)pyridin-2-amine has a molecular weight of 311.21 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-methyl-6-(2-propan-2-ylphenoxy)pyridin-2-amine is sourced from PubChem (CID 102760710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).