2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol

C21H26N2O4 — CID 137231962

IUPAC2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/CC(C)(C)C/N=C/c2cc(OC)ccc2O)c1
InChIInChI=1S/C21H26N2O4/c1-21(2,13-22-11-15-9-17(26-3)5-7-19(15)24)14-23-12-16-10-18(27-4)6-8-20(16)25/h5-12,24-25H,13-14H2,1-4H3/b22-11+,23-12+
InChIKeyMTTNNNZASQOVSK-LCHFAGMQSA-N
MW370.45 g/mol
LogP3.68
Rot. Bonds8

About 2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol

2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol (PubChem CID 137231962) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol
PubChem CID137231962
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/CC(C)(C)C/N=C/c2cc(OC)ccc2O)c1
InChIInChI=1S/C21H26N2O4/c1-21(2,13-22-11-15-9-17(26-3)5-7-19(15)24)14-23-12-16-10-18(27-4)6-8-20(16)25/h5-12,24-25H,13-14H2,1-4H3/b22-11+,23-12+
InChIKeyMTTNNNZASQOVSK-LCHFAGMQSA-N
XLogP3.68
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-(2-sulfanylethyliminomethyl)phenol
CID 137210775
2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135817975
2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol
CID 136914415
2-[2-[4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethylsulfanyl]butylsulfanyl]ethyliminomethyl]-4-methoxyphenol
CID 137082870
2-[2-[[2-hydroxy-5-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]ethyliminomethyl]-4-[(2-methylpropan-2-yl)oxy]phenol
CID 142265879
4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol
CID 135757890
2-[(3-chlorophenyl)methyliminomethyl]-4-methoxyphenol
CID 135595429
2-[2-(4-bromophenyl)sulfanylethyliminomethyl]-4-methoxyphenol
CID 135596106
2-(ethyliminomethyl)-5-methoxyphenol
CID 144549332
4-methoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol
CID 135818085
2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]iminomethyl]-4-methoxyphenol
CID 135757984
4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile
CID 1040051

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol?
The IUPAC name of 2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol (CID 137231962) is 2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol?
The canonical SMILES for 2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol is COc1ccc(O)c(/C=N/CC(C)(C)C/N=C/c2cc(OC)ccc2O)c1.
What is the InChIKey of 2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol?
The InChIKey is MTTNNNZASQOVSK-LCHFAGMQSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-21(2,13-22-11-15-9-17(26-3)5-7-19(15)24)14-23-12-16-10-18(27-4)6-8-20(16)25/h5-12,24-25H,13-14H2,1-4H3/b22-11+,23-12+.
What are the key properties of 2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol?
2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol has a molecular weight of 370.45 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol is sourced from PubChem (CID 137231962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).