[4-(2,3-dichlorophenoxy)-2,6-dimethyl-3-pyridinyl]methanamine

C14H14Cl2N2O — CID 81050243

IUPAC[4-(2,3-dichlorophenoxy)-2,6-dimethyl-3-pyridinyl]methanamine
SMILESCc1cc(Oc2cccc(Cl)c2Cl)c(CN)c(C)n1
InChIInChI=1S/C14H14Cl2N2O/c1-8-6-13(10(7-17)9(2)18-8)19-12-5-3-4-11(15)14(12)16/h3-6H,7,17H2,1-2H3
InChIKeyUAUDOSWZRBULSI-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.26
Rot. Bonds3

About [4-(2,3-dichlorophenoxy)-2,6-dimethyl-3-pyridinyl]methanamine

[4-(2,3-dichlorophenoxy)-2,6-dimethyl-3-pyridinyl]methanamine (PubChem CID 81050243) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is [4-(2,3-dichlorophenoxy)-2,6-dimethyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(2,3-dichlorophenoxy)-2,6-dimethyl-3-pyridinyl]methanamine
PubChem CID81050243
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name[4-(2,3-dichlorophenoxy)-2,6-dimethyl-3-pyridinyl]methanamine
SMILESCc1cc(Oc2cccc(Cl)c2Cl)c(CN)c(C)n1
InChIInChI=1S/C14H14Cl2N2O/c1-8-6-13(10(7-17)9(2)18-8)19-12-5-3-4-11(15)14(12)16/h3-6H,7,17H2,1-2H3
InChIKeyUAUDOSWZRBULSI-UHFFFAOYSA-N
XLogP4.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2,6-dimethyl-4-(2-methylphenoxy)-3-pyridinyl]methanamine
CID 81050871
[4-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]oxy]phenyl]methanol
CID 81051272
2-[2-chloro-6-(2,3-dichlorophenoxy)phenyl]ethanamine
CID 63815236
[2-chloro-6-(3,4-dichlorophenoxy)phenyl]methanamine
CID 63458744
[2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine
CID 28966143
[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
CID 28966120
[3-bromo-4-(2,3-dichlorophenoxy)phenyl]methanamine
CID 82798223
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206
[2-chloro-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]methanamine
CID 114323804
[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-6-chlorophenyl]methanamine
CID 114869765
[2-chloro-6-(2,4-dichlorophenoxy)phenyl]methanamine
CID 28966226
2-(2,3-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid
CID 55107905

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dichlorophenoxy)-2,6-dimethyl-3-pyridinyl]methanamine?
The IUPAC name of [4-(2,3-dichlorophenoxy)-2,6-dimethyl-3-pyridinyl]methanamine (CID 81050243) is [4-(2,3-dichlorophenoxy)-2,6-dimethyl-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(2,3-dichlorophenoxy)-2,6-dimethyl-3-pyridinyl]methanamine?
The canonical SMILES for [4-(2,3-dichlorophenoxy)-2,6-dimethyl-3-pyridinyl]methanamine is Cc1cc(Oc2cccc(Cl)c2Cl)c(CN)c(C)n1.
What is the InChIKey of [4-(2,3-dichlorophenoxy)-2,6-dimethyl-3-pyridinyl]methanamine?
The InChIKey is UAUDOSWZRBULSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-8-6-13(10(7-17)9(2)18-8)19-12-5-3-4-11(15)14(12)16/h3-6H,7,17H2,1-2H3.
What are the key properties of [4-(2,3-dichlorophenoxy)-2,6-dimethyl-3-pyridinyl]methanamine?
[4-(2,3-dichlorophenoxy)-2,6-dimethyl-3-pyridinyl]methanamine has a molecular weight of 297.19 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dichlorophenoxy)-2,6-dimethyl-3-pyridinyl]methanamine is sourced from PubChem (CID 81050243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).