N-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine

C16H20N2O2 — CID 105074999

IUPACN-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccncc1OCCOc1ccccc1
InChIInChI=1S/C16H20N2O2/c1-2-17-12-14-8-9-18-13-16(14)20-11-10-19-15-6-4-3-5-7-15/h3-9,13,17H,2,10-12H2,1H3
InChIKeyZILIZHGVTBYBFY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.65
Rot. Bonds8

About N-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine

N-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine (PubChem CID 105074999) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine
PubChem CID105074999
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccncc1OCCOc1ccccc1
InChIInChI=1S/C16H20N2O2/c1-2-17-12-14-8-9-18-13-16(14)20-11-10-19-15-6-4-3-5-7-15/h3-9,13,17H,2,10-12H2,1H3
InChIKeyZILIZHGVTBYBFY-UHFFFAOYSA-N
XLogP2.65
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.65
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-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]ethanamine
CID 105074911
N-[[3-(4-propoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075483
N-[[3-[3-(2-methoxyethoxy)propoxy]-4-pyridinyl]methyl]ethanamine
CID 103405777
N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075332
N-[[3-(3-ethoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075595
N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105074907
N-[[2-[2-[(6-methyl-3-pyridinyl)oxy]ethoxy]phenyl]methyl]ethanamine
CID 62440305
N-[[3-(2-methylpentoxy)-4-pyridinyl]methyl]ethanamine
CID 103285372
N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]-4-pyridinyl]methyl]ethanamine
CID 105075391
N-[[5-(2-phenoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 79775994
N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
CID 60892643
N-[[3-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075013

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine (CID 105074999) is N-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine is CCNCc1ccncc1OCCOc1ccccc1.
What is the InChIKey of N-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine?
The InChIKey is ZILIZHGVTBYBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-17-12-14-8-9-18-13-16(14)20-11-10-19-15-6-4-3-5-7-15/h3-9,13,17H,2,10-12H2,1H3.
What are the key properties of N-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine?
N-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine has a molecular weight of 272.35 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 105074999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).