2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol

C11H18N2O2 — CID 79782983

IUPAC2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol
SMILESCCCNCc1ccc(OCCO)cn1
InChIInChI=1S/C11H18N2O2/c1-2-5-12-8-10-3-4-11(9-13-10)15-7-6-14/h3-4,9,12,14H,2,5-8H2,1H3
InChIKeyBCGGVNVWHRFOHC-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.95
Rot. Bonds7

About 2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol

2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol (PubChem CID 79782983) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol
PubChem CID79782983
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol
SMILESCCCNCc1ccc(OCCO)cn1
InChIInChI=1S/C11H18N2O2/c1-2-5-12-8-10-3-4-11(9-13-10)15-7-6-14/h3-4,9,12,14H,2,5-8H2,1H3
InChIKeyBCGGVNVWHRFOHC-UHFFFAOYSA-N
XLogP0.95
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.95
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-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79782675
4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol
CID 79776524
N-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine
CID 79793851
N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79783377
N-[[5-(2-fluoroethoxy)-2-pyridinyl]methyl]ethanamine
CID 80700229
N-[(5-hept-6-enoxy-2-pyridinyl)methyl]propan-1-amine
CID 107006237
2-[4-(propylaminomethyl)phenoxy]ethanol
CID 17213252
6-[[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]oxy]hexan-1-ol
CID 107702731
N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79781683
N-[[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79783997
N-[[5-(pyridin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79781849
N-[[5-(2-phenoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 79775994

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol (CID 79782983) is 2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol is CCCNCc1ccc(OCCO)cn1.
What is the InChIKey of 2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol?
The InChIKey is BCGGVNVWHRFOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-5-12-8-10-3-4-11(9-13-10)15-7-6-14/h3-4,9,12,14H,2,5-8H2,1H3.
What are the key properties of 2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol?
2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol has a molecular weight of 210.28 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol is sourced from PubChem (CID 79782983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).