2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol

C22H32N4O4 — CID 139082337

IUPAC2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol
SMILESOCCNCC/N=C/c1ccccc1O.OCCNCC/N=C/c1ccccc1O
InChIInChI=1S/2C11H16N2O2/c2*14-8-7-12-5-6-13-9-10-3-1-2-4-11(10)15/h2*1-4,9,12,14-15H,5-8H2/b2*13-9+
InChIKeyVQKCUJVIKQEGTF-SNXMOEPDSA-N
MW416.52 g/mol
LogP0.79
Rot. Bonds12

About 2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol

2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol (PubChem CID 139082337) has the molecular formula C22H32N4O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol.

Molecular Properties

Compound Name2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol
PubChem CID139082337
Molecular FormulaC22H32N4O4
Molecular Weight416.52 g/mol
Exact Mass416.24
IUPAC Name2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol
SMILESOCCNCC/N=C/c1ccccc1O.OCCNCC/N=C/c1ccccc1O
InChIInChI=1S/2C11H16N2O2/c2*14-8-7-12-5-6-13-9-10-3-1-2-4-11(10)15/h2*1-4,9,12,14-15H,5-8H2/b2*13-9+
InChIKeyVQKCUJVIKQEGTF-SNXMOEPDSA-N
XLogP0.79
TPSA129.70 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 50.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-[2-[3-[(2-hydroxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]phenol
CID 5260284
2-[2-[2-[(2-nitrosophenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol
CID 137241052
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
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
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxovanadium(2+)
CID 158910145
2-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyliminomethyl]phenol
CID 136753245
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxochromium;perchlorate
CID 135406501
2-N,6-N-bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]pyridine-2,6-dicarboxamide
CID 135405887

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol?
The IUPAC name of 2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol (CID 139082337) is 2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol.
What is the SMILES notation for 2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol?
The canonical SMILES for 2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol is OCCNCC/N=C/c1ccccc1O.OCCNCC/N=C/c1ccccc1O.
What is the InChIKey of 2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol?
The InChIKey is VQKCUJVIKQEGTF-SNXMOEPDSA-N. The full InChI is InChI=1S/2C11H16N2O2/c2*14-8-7-12-5-6-13-9-10-3-1-2-4-11(10)15/h2*1-4,9,12,14-15H,5-8H2/b2*13-9+.
What are the key properties of 2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol?
2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol has a molecular weight of 416.52 g/mol, XLogP of 0.79, 12 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol is sourced from PubChem (CID 139082337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).