4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol

C13H19NO3 — CID 78929051

IUPAC4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
SMILESOc1ccccc1CNCC1(O)CCOCC1
InChIInChI=1S/C13H19NO3/c15-12-4-2-1-3-11(12)9-14-10-13(16)5-7-17-8-6-13/h1-4,14-16H,5-10H2
InChIKeyUROZKDYBRUTBNL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.02
Rot. Bonds4

About 4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol

4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol (PubChem CID 78929051) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
PubChem CID78929051
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
SMILESOc1ccccc1CNCC1(O)CCOCC1
InChIInChI=1S/C13H19NO3/c15-12-4-2-1-3-11(12)9-14-10-13(16)5-7-17-8-6-13/h1-4,14-16H,5-10H2
InChIKeyUROZKDYBRUTBNL-UHFFFAOYSA-N
XLogP1.02
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[[(3-bromo-2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 78929034
4-[[(3-fluoro-2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 112607096
4-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzene-1,3-diol
CID 113337838
4-[[(2-chloro-3-fluorophenyl)methylamino]methyl]oxan-4-ol
CID 112652187
4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol
CID 78928808
4-[[(2,5-difluorophenyl)methylamino]methyl]oxan-4-ol
CID 78928993
3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1H-quinolin-2-one
CID 78995923
4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]oxan-4-ol
CID 114842509
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103849795
2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol
CID 113443332
4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol
CID 78928948
3-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol
CID 103848379

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol (CID 78929051) is 4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol is Oc1ccccc1CNCC1(O)CCOCC1.
What is the InChIKey of 4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol?
The InChIKey is UROZKDYBRUTBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c15-12-4-2-1-3-11(12)9-14-10-13(16)5-7-17-8-6-13/h1-4,14-16H,5-10H2.
What are the key properties of 4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol?
4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol has a molecular weight of 237.30 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 78929051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).