2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol

C11H18N2O3 — CID 106307016

IUPAC2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol
SMILESCOc1cccc(NCCCOCCO)n1
InChIInChI=1S/C11H18N2O3/c1-15-11-5-2-4-10(13-11)12-6-3-8-16-9-7-14/h2,4-5,14H,3,6-9H2,1H3,(H,12,13)
InChIKeyMUADMFVWSVEJMU-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.90
Rot. Bonds8

About 2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol

2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol (PubChem CID 106307016) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol
PubChem CID106307016
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol
SMILESCOc1cccc(NCCCOCCO)n1
InChIInChI=1S/C11H18N2O3/c1-15-11-5-2-4-10(13-11)12-6-3-8-16-9-7-14/h2,4-5,14H,3,6-9H2,1H3,(H,12,13)
InChIKeyMUADMFVWSVEJMU-UHFFFAOYSA-N
XLogP0.90
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol?
The IUPAC name of 2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol (CID 106307016) is 2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol?
The canonical SMILES for 2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol is COc1cccc(NCCCOCCO)n1.
What is the InChIKey of 2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol?
The InChIKey is MUADMFVWSVEJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-15-11-5-2-4-10(13-11)12-6-3-8-16-9-7-14/h2,4-5,14H,3,6-9H2,1H3,(H,12,13).
What are the key properties of 2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol?
2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol has a molecular weight of 226.28 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol is sourced from PubChem (CID 106307016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).