2-[[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol

C20H20N2O2 — CID 15301349

IUPAC2-[[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol
SMILESOc1ccccc1CN(Cc1ccccn1)Cc1ccccc1O
InChIInChI=1S/C20H20N2O2/c23-19-10-3-1-7-16(19)13-22(15-18-9-5-6-12-21-18)14-17-8-2-4-11-20(17)24/h1-12,23-24H,13-15H2
InChIKeyXSKICIYYTAINAC-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.70
Rot. Bonds6

About 2-[[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol

2-[[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol (PubChem CID 15301349) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol
PubChem CID15301349
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-[[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol
SMILESOc1ccccc1CN(Cc1ccccn1)Cc1ccccc1O
InChIInChI=1S/C20H20N2O2/c23-19-10-3-1-7-16(19)13-22(15-18-9-5-6-12-21-18)14-17-8-2-4-11-20(17)24/h1-12,23-24H,13-15H2
InChIKeyXSKICIYYTAINAC-UHFFFAOYSA-N
XLogP3.70
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol?
The IUPAC name of 2-[[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol (CID 15301349) is 2-[[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol?
The canonical SMILES for 2-[[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol is Oc1ccccc1CN(Cc1ccccn1)Cc1ccccc1O.
What is the InChIKey of 2-[[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol?
The InChIKey is XSKICIYYTAINAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-19-10-3-1-7-16(19)13-22(15-18-9-5-6-12-21-18)14-17-8-2-4-11-20(17)24/h1-12,23-24H,13-15H2.
What are the key properties of 2-[[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol?
2-[[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol has a molecular weight of 320.39 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol is sourced from PubChem (CID 15301349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).