4-chloro-2-(2-morpholin-4-ylethyliminomethyl)phenol

C13H17ClN2O2 — CID 135659270

IUPAC4-chloro-2-(2-morpholin-4-ylethyliminomethyl)phenol
SMILESOc1ccc(Cl)cc1/C=N/CCN1CCOCC1
InChIInChI=1S/C13H17ClN2O2/c14-12-1-2-13(17)11(9-12)10-15-3-4-16-5-7-18-8-6-16/h1-2,9-10,17H,3-8H2/b15-10+
InChIKeyJJPIOHMPYLDJSX-XNTDXEJSSA-N
MW268.74 g/mol
LogP1.80
Rot. Bonds4

About 4-chloro-2-(2-morpholin-4-ylethyliminomethyl)phenol

4-chloro-2-(2-morpholin-4-ylethyliminomethyl)phenol (PubChem CID 135659270) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-chloro-2-(2-morpholin-4-ylethyliminomethyl)phenol.

Molecular Properties

Compound Name4-chloro-2-(2-morpholin-4-ylethyliminomethyl)phenol
PubChem CID135659270
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name4-chloro-2-(2-morpholin-4-ylethyliminomethyl)phenol
SMILESOc1ccc(Cl)cc1/C=N/CCN1CCOCC1
InChIInChI=1S/C13H17ClN2O2/c14-12-1-2-13(17)11(9-12)10-15-3-4-16-5-7-18-8-6-16/h1-2,9-10,17H,3-8H2/b15-10+
InChIKeyJJPIOHMPYLDJSX-XNTDXEJSSA-N
XLogP1.80
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(5-chloro-2-hydroxybenzylidene)-1,3-propylenediamine
CID 258807
n,n'-Bis(5-chlorosalicylidene)ethylenediamine
CID 375851
4-Chloro-2-[(e)-(2-hydroxyethylimino) methyl]phenol
CID 135848632
4-Chloro-2-[3-(dimethylamino)propyliminomethyl]phenol
CID 424134
Ethyl 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]piperidine-1-carboxylate
CID 135659261
4-Chloro-2-[(2-piperazin-1-ylethylimino)methyl]phenol
CID 135659262
4-Chloro-2-[3-[3-[(5-chloro-2-hydroxyphenyl)methylideneamino]propyl-methylamino]propyliminomethyl]phenol
CID 135659266
4-Chloro-2-(3-morpholin-4-ylpropyliminomethyl)phenol
CID 135659271
4-Chloro-2-[(3-diethylaminopropylimino)methyl]phenol
CID 135659272
4-Chloro-2-[2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol
CID 135659273
4-Fluoro-2-(2-morpholin-4-ylethyliminomethyl)phenol
CID 135912310
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]morpholine-4-carbothioamide
CID 145993754

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-morpholin-4-ylethyliminomethyl)phenol?
The IUPAC name of 4-chloro-2-(2-morpholin-4-ylethyliminomethyl)phenol (CID 135659270) is 4-chloro-2-(2-morpholin-4-ylethyliminomethyl)phenol.
What is the SMILES notation for 4-chloro-2-(2-morpholin-4-ylethyliminomethyl)phenol?
The canonical SMILES for 4-chloro-2-(2-morpholin-4-ylethyliminomethyl)phenol is Oc1ccc(Cl)cc1/C=N/CCN1CCOCC1.
What is the InChIKey of 4-chloro-2-(2-morpholin-4-ylethyliminomethyl)phenol?
The InChIKey is JJPIOHMPYLDJSX-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-12-1-2-13(17)11(9-12)10-15-3-4-16-5-7-18-8-6-16/h1-2,9-10,17H,3-8H2/b15-10+.
What are the key properties of 4-chloro-2-(2-morpholin-4-ylethyliminomethyl)phenol?
4-chloro-2-(2-morpholin-4-ylethyliminomethyl)phenol has a molecular weight of 268.74 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-morpholin-4-ylethyliminomethyl)phenol is sourced from PubChem (CID 135659270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).