2-methoxy-N-[[6-(3-methylphenoxy)-3-pyridinyl]methyl]ethanamine

C16H20N2O2 — CID 80636206

IUPAC2-methoxy-N-[[6-(3-methylphenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCOCCNCc1ccc(Oc2cccc(C)c2)nc1
InChIInChI=1S/C16H20N2O2/c1-13-4-3-5-15(10-13)20-16-7-6-14(12-18-16)11-17-8-9-19-2/h3-7,10,12,17H,8-9,11H2,1-2H3
InChIKeyCTMZKRXFCZWZCD-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.92
Rot. Bonds7

About 2-methoxy-N-[[6-(3-methylphenoxy)-3-pyridinyl]methyl]ethanamine

2-methoxy-N-[[6-(3-methylphenoxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 80636206) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-methoxy-N-[[6-(3-methylphenoxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[6-(3-methylphenoxy)-3-pyridinyl]methyl]ethanamine
PubChem CID80636206
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-methoxy-N-[[6-(3-methylphenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCOCCNCc1ccc(Oc2cccc(C)c2)nc1
InChIInChI=1S/C16H20N2O2/c1-13-4-3-5-15(10-13)20-16-7-6-14(12-18-16)11-17-8-9-19-2/h3-7,10,12,17H,8-9,11H2,1-2H3
InChIKeyCTMZKRXFCZWZCD-UHFFFAOYSA-N
XLogP2.92
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80636920
N-[[6-(3-iodophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80633976
N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80638854
N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 116689533
N-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296868
N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine
CID 62291138
2-methoxy-N-[(5-methyl-6-pyridin-3-yloxy-3-pyridinyl)methyl]ethanamine
CID 80633302
N-[[4-(3-methylphenoxy)phenyl]methyl]propan-1-amine
CID 19069340
1-[6-(3-bromophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058512
N-[[4-(3-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 63072700
N-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297385
2-[3-(methoxymethyl)phenoxy]-5-methylpyridine
CID 123576631

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[6-(3-methylphenoxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[6-(3-methylphenoxy)-3-pyridinyl]methyl]ethanamine (CID 80636206) is 2-methoxy-N-[[6-(3-methylphenoxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[6-(3-methylphenoxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[6-(3-methylphenoxy)-3-pyridinyl]methyl]ethanamine is COCCNCc1ccc(Oc2cccc(C)c2)nc1.
What is the InChIKey of 2-methoxy-N-[[6-(3-methylphenoxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is CTMZKRXFCZWZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-13-4-3-5-15(10-13)20-16-7-6-14(12-18-16)11-17-8-9-19-2/h3-7,10,12,17H,8-9,11H2,1-2H3.
What are the key properties of 2-methoxy-N-[[6-(3-methylphenoxy)-3-pyridinyl]methyl]ethanamine?
2-methoxy-N-[[6-(3-methylphenoxy)-3-pyridinyl]methyl]ethanamine has a molecular weight of 272.35 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[6-(3-methylphenoxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 80636206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).