4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol

C12H20N2O2 — CID 79776524

IUPAC4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol
SMILESCCNCc1ccc(OCCCCO)cn1
InChIInChI=1S/C12H20N2O2/c1-2-13-9-11-5-6-12(10-14-11)16-8-4-3-7-15/h5-6,10,13,15H,2-4,7-9H2,1H3
InChIKeyKEESUXLMQUUSQR-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.34
Rot. Bonds8

About 4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol

4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol (PubChem CID 79776524) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol.

Molecular Properties

Compound Name4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol
PubChem CID79776524
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol
SMILESCCNCc1ccc(OCCCCO)cn1
InChIInChI=1S/C12H20N2O2/c1-2-13-9-11-5-6-12(10-14-11)16-8-4-3-7-15/h5-6,10,13,15H,2-4,7-9H2,1H3
InChIKeyKEESUXLMQUUSQR-UHFFFAOYSA-N
XLogP1.34
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(2-fluoroethoxy)-2-pyridinyl]methyl]ethanamine
CID 80700229
6-[[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]oxy]hexan-1-ol
CID 107702731
N-[(5-ethoxy-2-pyridinyl)methyl]ethanamine
CID 79775704
N-[[5-(2-phenoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 79775994
2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol
CID 79782983
2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 79776683
4-[[6-(aminomethyl)-3-pyridinyl]oxy]butan-1-ol
CID 79776110
N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine
CID 79776328
N-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine
CID 79793851
N-[(5-but-3-en-2-yloxy-2-pyridinyl)methyl]ethanamine
CID 79775993
N-[(5-hept-6-enoxy-2-pyridinyl)methyl]propan-1-amine
CID 107006237
2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylethanone
CID 79775446

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol?
The IUPAC name of 4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol (CID 79776524) is 4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol.
What is the SMILES notation for 4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol?
The canonical SMILES for 4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol is CCNCc1ccc(OCCCCO)cn1.
What is the InChIKey of 4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol?
The InChIKey is KEESUXLMQUUSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-13-9-11-5-6-12(10-14-11)16-8-4-3-7-15/h5-6,10,13,15H,2-4,7-9H2,1H3.
What are the key properties of 4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol?
4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol is sourced from PubChem (CID 79776524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).