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

C16H20N2O2 — CID 110929258

IUPAC3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-1-ol
SMILESOCCCNCc1ccccc1OCc1cccnc1
InChIInChI=1S/C16H20N2O2/c19-10-4-9-18-12-15-6-1-2-7-16(15)20-13-14-5-3-8-17-11-14/h1-3,5-8,11,18-19H,4,9-10,12-13H2
InChIKeyOWGDGUKRKZTOJY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.13
Rot. Bonds8

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

3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-1-ol (PubChem CID 110929258) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-1-ol
PubChem CID110929258
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-1-ol
SMILESOCCCNCc1ccccc1OCc1cccnc1
InChIInChI=1S/C16H20N2O2/c19-10-4-9-18-12-15-6-1-2-7-16(15)20-13-14-5-3-8-17-11-14/h1-3,5-8,11,18-19H,4,9-10,12-13H2
InChIKeyOWGDGUKRKZTOJY-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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Related Compounds

2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol
CID 111421639
2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol
CID 17214025
1-[3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]piperidin-4-ol
CID 119111975
2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
CID 17214024
3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-1-ol
CID 110883598
3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol
CID 111422039
2-ethyl-2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]butanoic acid
CID 122129096
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine;dihydrochloride
CID 17054248
3-[(2-benzylphenoxy)methyl]pyridine
CID 112814185
4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol
CID 120963153
4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 110935707

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-1-ol?
The IUPAC name of 3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-1-ol (CID 110929258) is 3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-1-ol.
What is the SMILES notation for 3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-1-ol?
The canonical SMILES for 3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-1-ol is OCCCNCc1ccccc1OCc1cccnc1.
What is the InChIKey of 3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-1-ol?
The InChIKey is OWGDGUKRKZTOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-10-4-9-18-12-15-6-1-2-7-16(15)20-13-14-5-3-8-17-11-14/h1-3,5-8,11,18-19H,4,9-10,12-13H2.
What are the key properties of 3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-1-ol?
3-[[2-(pyridin-3-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-3-ylmethoxy)phenyl]methylamino]propan-1-ol is sourced from PubChem (CID 110929258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).