6-(3,4-dichlorophenoxy)-2,4-di(propan-2-yl)pyridin-3-amine

C17H20Cl2N2O — CID 58153470

IUPAC6-(3,4-dichlorophenoxy)-2,4-di(propan-2-yl)pyridin-3-amine
SMILESCC(C)c1cc(Oc2ccc(Cl)c(Cl)c2)nc(C(C)C)c1N
InChIInChI=1S/C17H20Cl2N2O/c1-9(2)12-8-15(21-17(10(3)4)16(12)20)22-11-5-6-13(18)14(19)7-11/h5-10H,20H2,1-4H3
InChIKeyZVRKGGORPJWLQT-UHFFFAOYSA-N
MW339.27 g/mol
LogP6.01
Rot. Bonds4

About 6-(3,4-dichlorophenoxy)-2,4-di(propan-2-yl)pyridin-3-amine

6-(3,4-dichlorophenoxy)-2,4-di(propan-2-yl)pyridin-3-amine (PubChem CID 58153470) has the molecular formula C17H20Cl2N2O and a molecular weight of 339.27 g/mol. Its IUPAC name is 6-(3,4-dichlorophenoxy)-2,4-di(propan-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-(3,4-dichlorophenoxy)-2,4-di(propan-2-yl)pyridin-3-amine
PubChem CID58153470
Molecular FormulaC17H20Cl2N2O
Molecular Weight339.27 g/mol
Exact Mass338.10
IUPAC Name6-(3,4-dichlorophenoxy)-2,4-di(propan-2-yl)pyridin-3-amine
SMILESCC(C)c1cc(Oc2ccc(Cl)c(Cl)c2)nc(C(C)C)c1N
InChIInChI=1S/C17H20Cl2N2O/c1-9(2)12-8-15(21-17(10(3)4)16(12)20)22-11-5-6-13(18)14(19)7-11/h5-10H,20H2,1-4H3
InChIKeyZVRKGGORPJWLQT-UHFFFAOYSA-N
XLogP6.01
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.27
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenoxy)-2,4-di(propan-2-yl)pyridin-3-amine?
The IUPAC name of 6-(3,4-dichlorophenoxy)-2,4-di(propan-2-yl)pyridin-3-amine (CID 58153470) is 6-(3,4-dichlorophenoxy)-2,4-di(propan-2-yl)pyridin-3-amine.
What is the SMILES notation for 6-(3,4-dichlorophenoxy)-2,4-di(propan-2-yl)pyridin-3-amine?
The canonical SMILES for 6-(3,4-dichlorophenoxy)-2,4-di(propan-2-yl)pyridin-3-amine is CC(C)c1cc(Oc2ccc(Cl)c(Cl)c2)nc(C(C)C)c1N.
What is the InChIKey of 6-(3,4-dichlorophenoxy)-2,4-di(propan-2-yl)pyridin-3-amine?
The InChIKey is ZVRKGGORPJWLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O/c1-9(2)12-8-15(21-17(10(3)4)16(12)20)22-11-5-6-13(18)14(19)7-11/h5-10H,20H2,1-4H3.
What are the key properties of 6-(3,4-dichlorophenoxy)-2,4-di(propan-2-yl)pyridin-3-amine?
6-(3,4-dichlorophenoxy)-2,4-di(propan-2-yl)pyridin-3-amine has a molecular weight of 339.27 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenoxy)-2,4-di(propan-2-yl)pyridin-3-amine is sourced from PubChem (CID 58153470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).