2-butoxy-N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]ethanamine

C16H28N2O2 — CID 103175707

IUPAC2-butoxy-N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
SMILESCCCCOCCNCCOc1ccc(C)nc1CC
InChIInChI=1S/C16H28N2O2/c1-4-6-11-19-12-9-17-10-13-20-16-8-7-14(3)18-15(16)5-2/h7-8,17H,4-6,9-13H2,1-3H3
InChIKeyHJWLJPGDZROCGL-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.74
Rot. Bonds11

About 2-butoxy-N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]ethanamine

2-butoxy-N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]ethanamine (PubChem CID 103175707) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-butoxy-N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]ethanamine.

Molecular Properties

Compound Name2-butoxy-N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
PubChem CID103175707
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-butoxy-N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
SMILESCCCCOCCNCCOc1ccc(C)nc1CC
InChIInChI=1S/C16H28N2O2/c1-4-6-11-19-12-9-17-10-13-20-16-8-7-14(3)18-15(16)5-2/h7-8,17H,4-6,9-13H2,1-3H3
InChIKeyHJWLJPGDZROCGL-UHFFFAOYSA-N
XLogP2.74
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.74
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-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]-2-methoxyethanamine
CID 103175724
N-[[3-(2-butoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79158487
N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]-2-methylbutan-2-amine
CID 103175670
3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine
CID 103174559
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-ol
CID 103175334
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine
CID 103174470
2-butoxy-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine
CID 55088257
2-butoxy-N-[2-(2,4-dichlorophenoxy)ethyl]ethanamine
CID 62571535
2-butoxy-N-[2-(2-fluoro-3-methylphenoxy)ethyl]ethanamine
CID 107661426
N-[[3-(2-ethoxyethoxy)-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79150445
2-butoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]ethanamine
CID 62597704
2-ethyl-6-methyl-3-(3-methylsulfonylpropoxy)pyridine
CID 99831600

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]ethanamine?
The IUPAC name of 2-butoxy-N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]ethanamine (CID 103175707) is 2-butoxy-N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]ethanamine.
What is the SMILES notation for 2-butoxy-N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]ethanamine?
The canonical SMILES for 2-butoxy-N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]ethanamine is CCCCOCCNCCOc1ccc(C)nc1CC.
What is the InChIKey of 2-butoxy-N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]ethanamine?
The InChIKey is HJWLJPGDZROCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-6-11-19-12-9-17-10-13-20-16-8-7-14(3)18-15(16)5-2/h7-8,17H,4-6,9-13H2,1-3H3.
What are the key properties of 2-butoxy-N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]ethanamine?
2-butoxy-N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]ethanamine has a molecular weight of 280.41 g/mol, XLogP of 2.74, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]ethanamine is sourced from PubChem (CID 103175707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).