[(1R)-1-(2-chlorophenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]-diethylazanium

C20H26ClN2O2+ — CID 135758516

IUPAC[(1R)-1-(2-chlorophenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]-diethylazanium
SMILESCC[NH+](CC)[C@@H](C/N=C/c1cccc(OC)c1O)c1ccccc1Cl
InChIInChI=1S/C20H25ClN2O2/c1-4-23(5-2)18(16-10-6-7-11-17(16)21)14-22-13-15-9-8-12-19(25-3)20(15)24/h6-13,18,24H,4-5,14H2,1-3H3/p+1/b22-13+/t18-/m0/s1
InChIKeyXSIJSPSKULBOIX-ZFJBLLOBSA-O
MW361.89 g/mol
LogP3.14
Rot. Bonds8

About [(1R)-1-(2-chlorophenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]-diethylazanium

[(1R)-1-(2-chlorophenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]-diethylazanium (PubChem CID 135758516) has the molecular formula C20H26ClN2O2+ and a molecular weight of 361.89 g/mol. Its IUPAC name is [(1R)-1-(2-chlorophenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]-diethylazanium.

Molecular Properties

Compound Name[(1R)-1-(2-chlorophenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]-diethylazanium
PubChem CID135758516
Molecular FormulaC20H26ClN2O2+
Molecular Weight361.89 g/mol
Exact Mass361.17
IUPAC Name[(1R)-1-(2-chlorophenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]-diethylazanium
SMILESCC[NH+](CC)[C@@H](C/N=C/c1cccc(OC)c1O)c1ccccc1Cl
InChIInChI=1S/C20H25ClN2O2/c1-4-23(5-2)18(16-10-6-7-11-17(16)21)14-22-13-15-9-8-12-19(25-3)20(15)24/h6-13,18,24H,4-5,14H2,1-3H3/p+1/b22-13+/t18-/m0/s1
InChIKeyXSIJSPSKULBOIX-ZFJBLLOBSA-O
XLogP3.14
TPSA46.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.89
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1R)-1-(2-chlorophenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]-diethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]-6-methoxyphenol
CID 135757753
2-(2-aminoethyliminomethyl)-6-methoxyphenol
CID 136729153
2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
2-[2-(3-chlorophenyl)ethyliminomethyl]-6-methoxyphenol
CID 135757817
2-methoxy-6-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]iminomethyl]phenol
CID 135758285
2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
CID 136851289
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-(3-hydroxypropyliminomethyl)-6-methoxyphenol
CID 136727735
2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol
CID 135509884
2-[(3,4-dimethoxyphenyl)methyliminomethyl]-6-methoxyphenol
CID 135595556
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
2-[[(2R)-2-(dimethylamino)-2-phenylethyl]iminomethyl]-6-ethoxyphenol
CID 135595845

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-chlorophenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]-diethylazanium?
The IUPAC name of [(1R)-1-(2-chlorophenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]-diethylazanium (CID 135758516) is [(1R)-1-(2-chlorophenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]-diethylazanium.
What is the SMILES notation for [(1R)-1-(2-chlorophenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]-diethylazanium?
The canonical SMILES for [(1R)-1-(2-chlorophenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]-diethylazanium is CC[NH+](CC)[C@@H](C/N=C/c1cccc(OC)c1O)c1ccccc1Cl.
What is the InChIKey of [(1R)-1-(2-chlorophenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]-diethylazanium?
The InChIKey is XSIJSPSKULBOIX-ZFJBLLOBSA-O. The full InChI is InChI=1S/C20H25ClN2O2/c1-4-23(5-2)18(16-10-6-7-11-17(16)21)14-22-13-15-9-8-12-19(25-3)20(15)24/h6-13,18,24H,4-5,14H2,1-3H3/p+1/b22-13+/t18-/m0/s1.
What are the key properties of [(1R)-1-(2-chlorophenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]-diethylazanium?
[(1R)-1-(2-chlorophenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]-diethylazanium has a molecular weight of 361.89 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-chlorophenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]-diethylazanium is sourced from PubChem (CID 135758516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).