2-[[2-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylpropyl]iminomethyl]-6-methylphenol

C20H24N2O2 — CID 136745314

IUPAC2-[[2-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylpropyl]iminomethyl]-6-methylphenol
SMILESCc1cccc(/C=N/CC(C)(C)/N=C/c2cccc(C)c2O)c1O
InChIInChI=1S/C20H24N2O2/c1-14-7-5-9-16(18(14)23)11-21-13-20(3,4)22-12-17-10-6-8-15(2)19(17)24/h5-12,23-24H,13H2,1-4H3/b21-11+,22-12+
InChIKeyQALPZLURRSPITM-XHQRYOPUSA-N
MW324.42 g/mol
LogP4.03
Rot. Bonds5

About 2-[[2-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylpropyl]iminomethyl]-6-methylphenol

2-[[2-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylpropyl]iminomethyl]-6-methylphenol (PubChem CID 136745314) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[[2-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylpropyl]iminomethyl]-6-methylphenol.

Molecular Properties

Compound Name2-[[2-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylpropyl]iminomethyl]-6-methylphenol
PubChem CID136745314
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-[[2-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylpropyl]iminomethyl]-6-methylphenol
SMILESCc1cccc(/C=N/CC(C)(C)/N=C/c2cccc(C)c2O)c1O
InChIInChI=1S/C20H24N2O2/c1-14-7-5-9-16(18(14)23)11-21-13-20(3,4)22-12-17-10-6-8-15(2)19(17)24/h5-12,23-24H,13H2,1-4H3/b21-11+,22-12+
InChIKeyQALPZLURRSPITM-XHQRYOPUSA-N
XLogP4.03
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.03
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-[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-6-methylphenol
CID 140501290
dichlorozirconium;2-[3-[(2-hydroxy-3-methylphenyl)methylideneamino]propyliminomethyl]-6-methylphenol
CID 135997406
5-(dimethylamino)-2-[[1-[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]iminomethyl]phenol;5-(dimethylamino)-2-[[2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol;molecular iodine
CID 161425693
2-tert-butyl-6-[(1-methoxy-2-methylpropan-2-yl)iminomethyl]phenol
CID 136842036
2-(2-methylbutan-2-yliminomethyl)phenol
CID 153389272
carbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol
CID 135967147
bis(acetonitrile);bis(2-[[2-methyl-2-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate);oxygen(2-);rhenium;diisothiocyanate
CID 139160511
2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol
CID 135997411
dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol
CID 174611638
2-methyl-6-[(E)-1,3,5-triazin-2-yliminomethyl]phenol
CID 135967228
2-hydroxy-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135533066
2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methylphenol
CID 1224312

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylpropyl]iminomethyl]-6-methylphenol?
The IUPAC name of 2-[[2-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylpropyl]iminomethyl]-6-methylphenol (CID 136745314) is 2-[[2-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylpropyl]iminomethyl]-6-methylphenol.
What is the SMILES notation for 2-[[2-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylpropyl]iminomethyl]-6-methylphenol?
The canonical SMILES for 2-[[2-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylpropyl]iminomethyl]-6-methylphenol is Cc1cccc(/C=N/CC(C)(C)/N=C/c2cccc(C)c2O)c1O.
What is the InChIKey of 2-[[2-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylpropyl]iminomethyl]-6-methylphenol?
The InChIKey is QALPZLURRSPITM-XHQRYOPUSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-7-5-9-16(18(14)23)11-21-13-20(3,4)22-12-17-10-6-8-15(2)19(17)24/h5-12,23-24H,13H2,1-4H3/b21-11+,22-12+.
What are the key properties of 2-[[2-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylpropyl]iminomethyl]-6-methylphenol?
2-[[2-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylpropyl]iminomethyl]-6-methylphenol has a molecular weight of 324.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylpropyl]iminomethyl]-6-methylphenol is sourced from PubChem (CID 136745314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).