6-(2,4-dichlorophenoxy)-2-propan-2-yloxypyridin-3-amine

C14H14Cl2N2O2 — CID 43262152

IUPAC6-(2,4-dichlorophenoxy)-2-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1nc(Oc2ccc(Cl)cc2Cl)ccc1N
InChIInChI=1S/C14H14Cl2N2O2/c1-8(2)19-14-11(17)4-6-13(18-14)20-12-5-3-9(15)7-10(12)16/h3-8H,17H2,1-2H3
InChIKeySDDZIPYJTVGRFU-UHFFFAOYSA-N
MW313.18 g/mol
LogP4.55
Rot. Bonds4

About 6-(2,4-dichlorophenoxy)-2-propan-2-yloxypyridin-3-amine

6-(2,4-dichlorophenoxy)-2-propan-2-yloxypyridin-3-amine (PubChem CID 43262152) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is 6-(2,4-dichlorophenoxy)-2-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound Name6-(2,4-dichlorophenoxy)-2-propan-2-yloxypyridin-3-amine
PubChem CID43262152
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name6-(2,4-dichlorophenoxy)-2-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1nc(Oc2ccc(Cl)cc2Cl)ccc1N
InChIInChI=1S/C14H14Cl2N2O2/c1-8(2)19-14-11(17)4-6-13(18-14)20-12-5-3-9(15)7-10(12)16/h3-8H,17H2,1-2H3
InChIKeySDDZIPYJTVGRFU-UHFFFAOYSA-N
XLogP4.55
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenoxy)-2-propan-2-yloxypyridin-3-amine?
The IUPAC name of 6-(2,4-dichlorophenoxy)-2-propan-2-yloxypyridin-3-amine (CID 43262152) is 6-(2,4-dichlorophenoxy)-2-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for 6-(2,4-dichlorophenoxy)-2-propan-2-yloxypyridin-3-amine?
The canonical SMILES for 6-(2,4-dichlorophenoxy)-2-propan-2-yloxypyridin-3-amine is CC(C)Oc1nc(Oc2ccc(Cl)cc2Cl)ccc1N.
What is the InChIKey of 6-(2,4-dichlorophenoxy)-2-propan-2-yloxypyridin-3-amine?
The InChIKey is SDDZIPYJTVGRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c1-8(2)19-14-11(17)4-6-13(18-14)20-12-5-3-9(15)7-10(12)16/h3-8H,17H2,1-2H3.
What are the key properties of 6-(2,4-dichlorophenoxy)-2-propan-2-yloxypyridin-3-amine?
6-(2,4-dichlorophenoxy)-2-propan-2-yloxypyridin-3-amine has a molecular weight of 313.18 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenoxy)-2-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 43262152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).