4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol

C19H24N2O3 — CID 110935707

IUPAC4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol
SMILESOC1(CNCc2ccccc2OCc2cccnc2)CCOCC1
InChIInChI=1S/C19H24N2O3/c22-19(7-10-23-11-8-19)15-21-13-17-5-1-2-6-18(17)24-14-16-4-3-9-20-12-16/h1-6,9,12,21-22H,7-8,10-11,13-15H2
InChIKeyVPFCTKHYLOHIBH-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.29
Rot. Bonds7

About 4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol

4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol (PubChem CID 110935707) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol
PubChem CID110935707
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol
SMILESOC1(CNCc2ccccc2OCc2cccnc2)CCOCC1
InChIInChI=1S/C19H24N2O3/c22-19(7-10-23-11-8-19)15-21-13-17-5-1-2-6-18(17)24-14-16-4-3-9-20-12-16/h1-6,9,12,21-22H,7-8,10-11,13-15H2
InChIKeyVPFCTKHYLOHIBH-UHFFFAOYSA-N
XLogP2.29
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol
CID 111421639
4-[[(2-phenylmethoxyphenyl)methylamino]methyl]thian-4-ol
CID 111436730
3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-1-ol
CID 110929258
4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 78929051
3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol
CID 111422039
4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol
CID 120963153
1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine
CID 47631270
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-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol
CID 78928948

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol (CID 110935707) is 4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol is OC1(CNCc2ccccc2OCc2cccnc2)CCOCC1.
What is the InChIKey of 4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol?
The InChIKey is VPFCTKHYLOHIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-19(7-10-23-11-8-19)15-21-13-17-5-1-2-6-18(17)24-14-16-4-3-9-20-12-16/h1-6,9,12,21-22H,7-8,10-11,13-15H2.
What are the key properties of 4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol?
4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol has a molecular weight of 328.41 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 110935707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).