1-[6-(2-methoxy-4-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine

C16H20N2O2 — CID 80635567

IUPAC1-[6-(2-methoxy-4-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(Oc2ccc(C)cc2OC)c(C)c1
InChIInChI=1S/C16H20N2O2/c1-11-5-6-14(15(7-11)19-4)20-16-12(2)8-13(9-17-3)10-18-16/h5-8,10,17H,9H2,1-4H3
InChIKeyZTVRVAFIHYJSGB-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.22
Rot. Bonds5

About 1-[6-(2-methoxy-4-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine

1-[6-(2-methoxy-4-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine (PubChem CID 80635567) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[6-(2-methoxy-4-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(2-methoxy-4-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
PubChem CID80635567
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[6-(2-methoxy-4-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(Oc2ccc(C)cc2OC)c(C)c1
InChIInChI=1S/C16H20N2O2/c1-11-5-6-14(15(7-11)19-4)20-16-12(2)8-13(9-17-3)10-18-16/h5-8,10,17H,9H2,1-4H3
InChIKeyZTVRVAFIHYJSGB-UHFFFAOYSA-N
XLogP3.22
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(4-bromo-2-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80633834
1-[6-(3,4-dimethylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80635573
N-methyl-1-[5-methyl-6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine
CID 80637413
N-methyl-1-[5-methyl-6-(4-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 80635782
1-[6-(2,4-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058595
2-[6-(2,4-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80640333
2-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80639335
1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62296357
5-(chloromethyl)-2-(2-chloro-5-methylphenoxy)-3-methylpyridine
CID 80628031
N-methyl-1-[5-methyl-6-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methanamine
CID 116793108
1-[6-(4-ethyl-2-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 107666919
1-[5-chloro-6-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 79406807

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methoxy-4-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-(2-methoxy-4-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine (CID 80635567) is 1-[6-(2-methoxy-4-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(2-methoxy-4-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(2-methoxy-4-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine is CNCc1cnc(Oc2ccc(C)cc2OC)c(C)c1.
What is the InChIKey of 1-[6-(2-methoxy-4-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine?
The InChIKey is ZTVRVAFIHYJSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-5-6-14(15(7-11)19-4)20-16-12(2)8-13(9-17-3)10-18-16/h5-8,10,17H,9H2,1-4H3.
What are the key properties of 1-[6-(2-methoxy-4-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine?
1-[6-(2-methoxy-4-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine has a molecular weight of 272.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methoxy-4-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 80635567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).