2-[3-[2-[3-[(2-hydroxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]phenol

C22H30N4O2 — CID 5260284

IUPAC2-[3-[2-[3-[(2-hydroxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]phenol
SMILESOc1ccccc1/C=N/CCCNCCNCCC/N=C/c1ccccc1O
InChIInChI=1S/C22H30N4O2/c27-21-9-3-1-7-19(21)17-25-13-5-11-23-15-16-24-12-6-14-26-18-20-8-2-4-10-22(20)28/h1-4,7-10,17-18,23-24,27-28H,5-6,11-16H2/b25-17+,26-18+
InChIKeyOPRVBOQMCBLKKT-RPCRKUJJSA-N
MW382.51 g/mol
LogP2.60
Rot. Bonds13

About 2-[3-[2-[3-[(2-hydroxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]phenol

2-[3-[2-[3-[(2-hydroxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]phenol (PubChem CID 5260284) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[3-[2-[3-[(2-hydroxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]phenol.

Molecular Properties

Compound Name2-[3-[2-[3-[(2-hydroxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]phenol
PubChem CID5260284
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name2-[3-[2-[3-[(2-hydroxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]phenol
SMILESOc1ccccc1/C=N/CCCNCCNCCC/N=C/c1ccccc1O
InChIInChI=1S/C22H30N4O2/c27-21-9-3-1-7-19(21)17-25-13-5-11-23-15-16-24-12-6-14-26-18-20-8-2-4-10-22(20)28/h1-4,7-10,17-18,23-24,27-28H,5-6,11-16H2/b25-17+,26-18+
InChIKeyOPRVBOQMCBLKKT-RPCRKUJJSA-N
XLogP2.60
TPSA89.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.60
H-Bond Donors ≤ 54
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-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyliminomethyl]phenol
CID 136753245
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
2-[2-[2-[(2-nitrosophenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol
CID 137241052
dichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
CID 135852922
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
sodium;cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135544422
2-[3-[2-[3-[(2-hydroxy-5-propan-2-ylphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]-4-propan-2-ylphenol
CID 135587662
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxovanadium(2+)
CID 158910145

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[3-[(2-hydroxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]phenol?
The IUPAC name of 2-[3-[2-[3-[(2-hydroxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]phenol (CID 5260284) is 2-[3-[2-[3-[(2-hydroxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]phenol.
What is the SMILES notation for 2-[3-[2-[3-[(2-hydroxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]phenol?
The canonical SMILES for 2-[3-[2-[3-[(2-hydroxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]phenol is Oc1ccccc1/C=N/CCCNCCNCCC/N=C/c1ccccc1O.
What is the InChIKey of 2-[3-[2-[3-[(2-hydroxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]phenol?
The InChIKey is OPRVBOQMCBLKKT-RPCRKUJJSA-N. The full InChI is InChI=1S/C22H30N4O2/c27-21-9-3-1-7-19(21)17-25-13-5-11-23-15-16-24-12-6-14-26-18-20-8-2-4-10-22(20)28/h1-4,7-10,17-18,23-24,27-28H,5-6,11-16H2/b25-17+,26-18+.
What are the key properties of 2-[3-[2-[3-[(2-hydroxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]phenol?
2-[3-[2-[3-[(2-hydroxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]phenol has a molecular weight of 382.51 g/mol, XLogP of 2.60, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[3-[(2-hydroxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]phenol is sourced from PubChem (CID 5260284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).