3-[(6-methoxy-2-pyridinyl)oxy]propan-1-amine

C9H14N2O2 — CID 63586658

IUPAC3-[(6-methoxy-2-pyridinyl)oxy]propan-1-amine
SMILESCOc1cccc(OCCCN)n1
InChIInChI=1S/C9H14N2O2/c1-12-8-4-2-5-9(11-8)13-7-3-6-10/h2,4-5H,3,6-7,10H2,1H3
InChIKeyMCCPOBYFLUCWSL-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.82
Rot. Bonds5

About 3-[(6-methoxy-2-pyridinyl)oxy]propan-1-amine

3-[(6-methoxy-2-pyridinyl)oxy]propan-1-amine (PubChem CID 63586658) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-[(6-methoxy-2-pyridinyl)oxy]propan-1-amine.

Molecular Properties

Compound Name3-[(6-methoxy-2-pyridinyl)oxy]propan-1-amine
PubChem CID63586658
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-[(6-methoxy-2-pyridinyl)oxy]propan-1-amine
SMILESCOc1cccc(OCCCN)n1
InChIInChI=1S/C9H14N2O2/c1-12-8-4-2-5-9(11-8)13-7-3-6-10/h2,4-5H,3,6-7,10H2,1H3
InChIKeyMCCPOBYFLUCWSL-UHFFFAOYSA-N
XLogP0.82
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.82
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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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-2-pyridinyl)oxy]propan-1-amine?
The IUPAC name of 3-[(6-methoxy-2-pyridinyl)oxy]propan-1-amine (CID 63586658) is 3-[(6-methoxy-2-pyridinyl)oxy]propan-1-amine.
What is the SMILES notation for 3-[(6-methoxy-2-pyridinyl)oxy]propan-1-amine?
The canonical SMILES for 3-[(6-methoxy-2-pyridinyl)oxy]propan-1-amine is COc1cccc(OCCCN)n1.
What is the InChIKey of 3-[(6-methoxy-2-pyridinyl)oxy]propan-1-amine?
The InChIKey is MCCPOBYFLUCWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-12-8-4-2-5-9(11-8)13-7-3-6-10/h2,4-5H,3,6-7,10H2,1H3.
What are the key properties of 3-[(6-methoxy-2-pyridinyl)oxy]propan-1-amine?
3-[(6-methoxy-2-pyridinyl)oxy]propan-1-amine has a molecular weight of 182.22 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-2-pyridinyl)oxy]propan-1-amine is sourced from PubChem (CID 63586658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).