6-(2-butan-2-ylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine

C16H18Cl2N2O — CID 102760712

IUPAC6-(2-butan-2-ylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine
SMILESCCC(C)c1ccccc1Oc1nc(NC)c(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2O/c1-4-10(2)11-7-5-6-8-14(11)21-16-13(18)9-12(17)15(19-3)20-16/h5-10H,4H2,1-3H3,(H,19,20)
InChIKeyCSLXKHUMQSRUBV-UHFFFAOYSA-N
MW325.24 g/mol
LogP5.74
Rot. Bonds5

About 6-(2-butan-2-ylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine

6-(2-butan-2-ylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine (PubChem CID 102760712) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is 6-(2-butan-2-ylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-(2-butan-2-ylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine
PubChem CID102760712
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC Name6-(2-butan-2-ylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine
SMILESCCC(C)c1ccccc1Oc1nc(NC)c(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2O/c1-4-10(2)11-7-5-6-8-14(11)21-16-13(18)9-12(17)15(19-3)20-16/h5-10H,4H2,1-3H3,(H,19,20)
InChIKeyCSLXKHUMQSRUBV-UHFFFAOYSA-N
XLogP5.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.24
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-methyl-6-(2-propan-2-ylphenoxy)pyridin-2-amine
CID 102760710
6-(2-butan-2-ylphenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80881121
3,5-dichloro-N-methyl-6-(2,4,5-trichlorophenoxy)pyridin-2-amine
CID 102760562
4-(2-butan-2-ylphenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80943134
4-(2-butan-2-ylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80874064
3,5-dichloro-6-(4-ethyl-2-methoxyphenoxy)-N-methylpyridin-2-amine
CID 107669668
4-(bromomethyl)-1-(2-butan-2-ylphenoxy)-2-chlorobenzene
CID 107087329
2-(2-butan-2-ylphenoxy)-3-chloroaniline
CID 43101029
1-[2-(2-butan-2-ylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62322019
N-[2-(2-butan-2-ylphenoxy)ethyl]-2,4,5-trichloroaniline
CID 54797761
6-(2-butan-2-ylphenoxy)-2,5-dimethylpyrimidin-4-amine
CID 80881297
2-(2-butan-2-ylphenoxy)-3-chloropyridine-4-carbonitrile
CID 107058864

Frequently Asked Questions

What is the IUPAC name of 6-(2-butan-2-ylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine?
The IUPAC name of 6-(2-butan-2-ylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine (CID 102760712) is 6-(2-butan-2-ylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine.
What is the SMILES notation for 6-(2-butan-2-ylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine?
The canonical SMILES for 6-(2-butan-2-ylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine is CCC(C)c1ccccc1Oc1nc(NC)c(Cl)cc1Cl.
What is the InChIKey of 6-(2-butan-2-ylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine?
The InChIKey is CSLXKHUMQSRUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-4-10(2)11-7-5-6-8-14(11)21-16-13(18)9-12(17)15(19-3)20-16/h5-10H,4H2,1-3H3,(H,19,20).
What are the key properties of 6-(2-butan-2-ylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine?
6-(2-butan-2-ylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine has a molecular weight of 325.24 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-butan-2-ylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine is sourced from PubChem (CID 102760712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).