3,5-dichloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine

C13H12Cl2N2O — CID 70584896

IUPAC3,5-dichloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
SMILESCOc1ccc(N(C)c2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C13H12Cl2N2O/c1-17(10-3-5-11(18-2)6-4-10)13-12(15)7-9(14)8-16-13/h3-8H,1-2H3
InChIKeyBAEAHQKUMIOJRP-UHFFFAOYSA-N
MW283.16 g/mol
LogP4.16
Rot. Bonds3

About 3,5-dichloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine

3,5-dichloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine (PubChem CID 70584896) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 3,5-dichloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
PubChem CID70584896
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name3,5-dichloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
SMILESCOc1ccc(N(C)c2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C13H12Cl2N2O/c1-17(10-3-5-11(18-2)6-4-10)13-12(15)7-9(14)8-16-13/h3-8H,1-2H3
InChIKeyBAEAHQKUMIOJRP-UHFFFAOYSA-N
XLogP4.16
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine (CID 70584896) is 3,5-dichloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine is COc1ccc(N(C)c2ncc(Cl)cc2Cl)cc1.
What is the InChIKey of 3,5-dichloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine?
The InChIKey is BAEAHQKUMIOJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-17(10-3-5-11(18-2)6-4-10)13-12(15)7-9(14)8-16-13/h3-8H,1-2H3.
What are the key properties of 3,5-dichloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine?
3,5-dichloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine has a molecular weight of 283.16 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 70584896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).