5-(dimethylamino)-2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol

C18H21N3O2 — CID 135581379

IUPAC5-(dimethylamino)-2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
SMILESCN(C)c1ccc(/C=N/CC/N=C/c2ccccc2O)c(O)c1
InChIInChI=1S/C18H21N3O2/c1-21(2)16-8-7-15(18(23)11-16)13-20-10-9-19-12-14-5-3-4-6-17(14)22/h3-8,11-13,22-23H,9-10H2,1-2H3/b19-12+,20-13+
InChIKeyREXCENBNHDHQDS-KVOOEGMKSA-N
MW311.38 g/mol
LogP2.70
Rot. Bonds6

About 5-(dimethylamino)-2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol

5-(dimethylamino)-2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol (PubChem CID 135581379) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol.

Molecular Properties

Compound Name5-(dimethylamino)-2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
PubChem CID135581379
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name5-(dimethylamino)-2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
SMILESCN(C)c1ccc(/C=N/CC/N=C/c2ccccc2O)c(O)c1
InChIInChI=1S/C18H21N3O2/c1-21(2)16-8-7-15(18(23)11-16)13-20-10-9-19-12-14-5-3-4-6-17(14)22/h3-8,11-13,22-23H,9-10H2,1-2H3/b19-12+,20-13+
InChIKeyREXCENBNHDHQDS-KVOOEGMKSA-N
XLogP2.70
TPSA68.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-(dimethylamino)-2-[[1-[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]iminomethyl]phenol;5-(dimethylamino)-2-[[2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol;molecular iodine
CID 161425693
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
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
5-(dimethylamino)-2-[(diphenylhydrazinylidene)methyl]phenol
CID 136612078
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxovanadium(2+)
CID 158910145
5-(diethylamino)-2-[2-(dimethylamino)ethyliminomethyl]phenol
CID 136879981
5-bromo-2-[2-[(4-bromo-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 3089504
cobalt;tris(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);2-[3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propyliminomethyl]phenol;iron;hydrate
CID 162275151

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol?
The IUPAC name of 5-(dimethylamino)-2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol (CID 135581379) is 5-(dimethylamino)-2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol.
What is the SMILES notation for 5-(dimethylamino)-2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol?
The canonical SMILES for 5-(dimethylamino)-2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol is CN(C)c1ccc(/C=N/CC/N=C/c2ccccc2O)c(O)c1.
What is the InChIKey of 5-(dimethylamino)-2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol?
The InChIKey is REXCENBNHDHQDS-KVOOEGMKSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-21(2)16-8-7-15(18(23)11-16)13-20-10-9-19-12-14-5-3-4-6-17(14)22/h3-8,11-13,22-23H,9-10H2,1-2H3/b19-12+,20-13+.
What are the key properties of 5-(dimethylamino)-2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol?
5-(dimethylamino)-2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol has a molecular weight of 311.38 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol is sourced from PubChem (CID 135581379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).