2-methoxy-6-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol

C20H25N2O3+ — CID 135818063

IUPAC2-methoxy-6-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol
SMILESCOc1cccc(/C=N/Cc2ccccc2C[NH+]2CCOCC2)c1O
InChIInChI=1S/C20H24N2O3/c1-24-19-8-4-7-17(20(19)23)14-21-13-16-5-2-3-6-18(16)15-22-9-11-25-12-10-22/h2-8,14,23H,9-13,15H2,1H3/p+1/b21-14+
InChIKeyLOTCRPNLPXIYJD-KGENOOAVSA-O
MW341.43 g/mol
LogP1.43
Rot. Bonds6

About 2-methoxy-6-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol

2-methoxy-6-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol (PubChem CID 135818063) has the molecular formula C20H25N2O3+ and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-methoxy-6-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol
PubChem CID135818063
Molecular FormulaC20H25N2O3+
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name2-methoxy-6-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol
SMILESCOc1cccc(/C=N/Cc2ccccc2C[NH+]2CCOCC2)c1O
InChIInChI=1S/C20H24N2O3/c1-24-19-8-4-7-17(20(19)23)14-21-13-16-5-2-3-6-18(16)15-22-9-11-25-12-10-22/h2-8,14,23H,9-13,15H2,1H3/p+1/b21-14+
InChIKeyLOTCRPNLPXIYJD-KGENOOAVSA-O
XLogP1.43
TPSA55.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-6-(2-morpholin-4-ylethyliminomethyl)phenol
CID 4072556
bis(2-(furan-2-ylmethyliminomethyl)-6-methoxyphenol);oxovanadium
CID 170896531
2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
2-[(3,4-dimethoxyphenyl)methyliminomethyl]-6-methoxyphenol
CID 135595556
2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
CID 136851289
(2-hydroxy-3-methoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium
CID 7263976
2-(2-aminoethyliminomethyl)-6-methoxyphenol
CID 136729153
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-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
4-methoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol
CID 135818085

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol?
The IUPAC name of 2-methoxy-6-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol (CID 135818063) is 2-methoxy-6-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol?
The canonical SMILES for 2-methoxy-6-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol is COc1cccc(/C=N/Cc2ccccc2C[NH+]2CCOCC2)c1O.
What is the InChIKey of 2-methoxy-6-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol?
The InChIKey is LOTCRPNLPXIYJD-KGENOOAVSA-O. The full InChI is InChI=1S/C20H24N2O3/c1-24-19-8-4-7-17(20(19)23)14-21-13-16-5-2-3-6-18(16)15-22-9-11-25-12-10-22/h2-8,14,23H,9-13,15H2,1H3/p+1/b21-14+.
What are the key properties of 2-methoxy-6-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol?
2-methoxy-6-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol has a molecular weight of 341.43 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol is sourced from PubChem (CID 135818063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).