1-[2-(3-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine

C17H22N2O2 — CID 62335805

IUPAC1-[2-(3-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
SMILESCCOc1cccc(Oc2nc(C)cc(C)c2CNC)c1
InChIInChI=1S/C17H22N2O2/c1-5-20-14-7-6-8-15(10-14)21-17-16(11-18-4)12(2)9-13(3)19-17/h6-10,18H,5,11H2,1-4H3
InChIKeyAANGYVKRICOFAU-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.61
Rot. Bonds6

About 1-[2-(3-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine

1-[2-(3-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine (PubChem CID 62335805) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[2-(3-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
PubChem CID62335805
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[2-(3-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
SMILESCCOc1cccc(Oc2nc(C)cc(C)c2CNC)c1
InChIInChI=1S/C17H22N2O2/c1-5-20-14-7-6-8-15(10-14)21-17-16(11-18-4)12(2)9-13(3)19-17/h6-10,18H,5,11H2,1-4H3
InChIKeyAANGYVKRICOFAU-UHFFFAOYSA-N
XLogP3.61
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 62336171
1-[2-(3,4-dimethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 62296968
1-[2-(4-bromo-3-methylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 83135139
1-[2-(4-chloro-3-ethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 62321886
N-[[2-(3-ethylphenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62296699
N-[[4,6-dimethyl-2-(3-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62296977
1-[2-(3,5-difluorophenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 62783602
1-[2-(3-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 83234904
[2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 61256704
[2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 61175556
1-(4,6-dimethyl-2-pentoxy-3-pyridinyl)-N-methylmethanamine
CID 62296147
[2-(3-ethoxyphenoxy)-6-methyl-3-pyridinyl]methanamine
CID 62337446

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine (CID 62335805) is 1-[2-(3-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine is CCOc1cccc(Oc2nc(C)cc(C)c2CNC)c1.
What is the InChIKey of 1-[2-(3-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine?
The InChIKey is AANGYVKRICOFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-5-20-14-7-6-8-15(10-14)21-17-16(11-18-4)12(2)9-13(3)19-17/h6-10,18H,5,11H2,1-4H3.
What are the key properties of 1-[2-(3-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine?
1-[2-(3-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine has a molecular weight of 286.38 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62335805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).