2-[2-[2-[(2-nitrosophenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol

C18H20N4O2 — CID 137241052

IUPAC2-[2-[2-[(2-nitrosophenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol
SMILESO=Nc1ccccc1/C=N/CCNCC/N=C/c1ccccc1O
InChIInChI=1S/C18H20N4O2/c23-18-8-4-2-6-16(18)14-21-12-10-19-9-11-20-13-15-5-1-3-7-17(15)22-24/h1-8,13-14,19,23H,9-12H2/b20-13+,21-14+
InChIKeyBLDQGLOTNGLPGX-KVVJQUGZSA-N
MW324.38 g/mol
LogP2.92
Rot. Bonds9

About 2-[2-[2-[(2-nitrosophenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol

2-[2-[2-[(2-nitrosophenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol (PubChem CID 137241052) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[2-[2-[(2-nitrosophenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol.

Molecular Properties

Compound Name2-[2-[2-[(2-nitrosophenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol
PubChem CID137241052
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-[2-[2-[(2-nitrosophenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol
SMILESO=Nc1ccccc1/C=N/CCNCC/N=C/c1ccccc1O
InChIInChI=1S/C18H20N4O2/c23-18-8-4-2-6-16(18)14-21-12-10-19-9-11-20-13-15-5-1-3-7-17(15)22-24/h1-8,13-14,19,23H,9-12H2/b20-13+,21-14+
InChIKeyBLDQGLOTNGLPGX-KVVJQUGZSA-N
XLogP2.92
TPSA86.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol
CID 139082337
2-[3-[2-[3-[(2-hydroxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]phenol
CID 5260284
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxovanadium(2+)
CID 158910145
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
oxovanadium;bis(2-(propyliminomethyl)phenol)
CID 5242411
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
2-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyliminomethyl]phenol
CID 136753245
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxochromium;perchlorate
CID 135406501

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2-nitrosophenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol?
The IUPAC name of 2-[2-[2-[(2-nitrosophenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol (CID 137241052) is 2-[2-[2-[(2-nitrosophenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol.
What is the SMILES notation for 2-[2-[2-[(2-nitrosophenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol?
The canonical SMILES for 2-[2-[2-[(2-nitrosophenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol is O=Nc1ccccc1/C=N/CCNCC/N=C/c1ccccc1O.
What is the InChIKey of 2-[2-[2-[(2-nitrosophenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol?
The InChIKey is BLDQGLOTNGLPGX-KVVJQUGZSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-18-8-4-2-6-16(18)14-21-12-10-19-9-11-20-13-15-5-1-3-7-17(15)22-24/h1-8,13-14,19,23H,9-12H2/b20-13+,21-14+.
What are the key properties of 2-[2-[2-[(2-nitrosophenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol?
2-[2-[2-[(2-nitrosophenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol has a molecular weight of 324.38 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2-nitrosophenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol is sourced from PubChem (CID 137241052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).