3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-1-ol

C16H20N2O2 — CID 110883598

IUPAC3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-1-ol
SMILESOCCCNCc1ccccc1OCc1ccccn1
InChIInChI=1S/C16H20N2O2/c19-11-5-9-17-12-14-6-1-2-8-16(14)20-13-15-7-3-4-10-18-15/h1-4,6-8,10,17,19H,5,9,11-13H2
InChIKeyXFFLSIFAKGNCAM-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.13
Rot. Bonds8

About 3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-1-ol

3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-1-ol (PubChem CID 110883598) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-1-ol
PubChem CID110883598
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-1-ol
SMILESOCCCNCc1ccccc1OCc1ccccn1
InChIInChI=1S/C16H20N2O2/c19-11-5-9-17-12-14-6-1-2-8-16(14)20-13-15-7-3-4-10-18-15/h1-4,6-8,10,17,19H,5,9,11-13H2
InChIKeyXFFLSIFAKGNCAM-UHFFFAOYSA-N
XLogP2.13
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.13
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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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-1-ol?
The IUPAC name of 3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-1-ol (CID 110883598) is 3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-1-ol.
What is the SMILES notation for 3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-1-ol?
The canonical SMILES for 3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-1-ol is OCCCNCc1ccccc1OCc1ccccn1.
What is the InChIKey of 3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-1-ol?
The InChIKey is XFFLSIFAKGNCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-11-5-9-17-12-14-6-1-2-8-16(14)20-13-15-7-3-4-10-18-15/h1-4,6-8,10,17,19H,5,9,11-13H2.
What are the key properties of 3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-1-ol?
3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-1-ol has a molecular weight of 272.35 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-1-ol is sourced from PubChem (CID 110883598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).