2-[[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]phenol

C23H24N2O3 — CID 136504665

IUPAC2-[[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]phenol
SMILESOc1ccccc1/C=N/CCN(Cc1ccccc1O)Cc1ccccc1O
InChIInChI=1S/C23H24N2O3/c26-21-10-4-1-7-18(21)15-24-13-14-25(16-19-8-2-5-11-22(19)27)17-20-9-3-6-12-23(20)28/h1-12,15,26-28H,13-14,16-17H2/b24-15+
InChIKeyYVGNEZFFZZOXFL-BUVRLJJBSA-N
MW376.46 g/mol
LogP3.92
Rot. Bonds8

About 2-[[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]phenol

2-[[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]phenol (PubChem CID 136504665) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]phenol
PubChem CID136504665
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-[[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]phenol
SMILESOc1ccccc1/C=N/CCN(Cc1ccccc1O)Cc1ccccc1O
InChIInChI=1S/C23H24N2O3/c26-21-10-4-1-7-18(21)15-24-13-14-25(16-19-8-2-5-11-22(19)27)17-20-9-3-6-12-23(20)28/h1-12,15,26-28H,13-14,16-17H2/b24-15+
InChIKeyYVGNEZFFZZOXFL-BUVRLJJBSA-N
XLogP3.92
TPSA76.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[bis(2-aminoethyl)amino]ethyliminomethyl]phenol
CID 135459839
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
sodium;cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135544422
4-[[bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]-N-hydroxybenzeneamine oxide
CID 163170854
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxovanadium(2+)
CID 158910145
dichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
CID 135852922
2-[[2-[(dimethylamino)methyl]phenyl]methyliminomethyl]phenol
CID 135829078
bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]azanide;copper(1+)
CID 135987878

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]phenol?
The IUPAC name of 2-[[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]phenol (CID 136504665) is 2-[[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]phenol.
What is the SMILES notation for 2-[[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]phenol?
The canonical SMILES for 2-[[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]phenol is Oc1ccccc1/C=N/CCN(Cc1ccccc1O)Cc1ccccc1O.
What is the InChIKey of 2-[[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]phenol?
The InChIKey is YVGNEZFFZZOXFL-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H24N2O3/c26-21-10-4-1-7-18(21)15-24-13-14-25(16-19-8-2-5-11-22(19)27)17-20-9-3-6-12-23(20)28/h1-12,15,26-28H,13-14,16-17H2/b24-15+.
What are the key properties of 2-[[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]phenol?
2-[[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]phenol has a molecular weight of 376.46 g/mol, XLogP of 3.92, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]phenol is sourced from PubChem (CID 136504665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).