2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]iminomethyl]-5-methoxyphenol

C22H28N2O2 — CID 177466291

IUPAC2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]iminomethyl]-5-methoxyphenol
SMILESCOc1ccc(/C=N/c2ccccc2CN(C)C2CCCCC2)c(O)c1
InChIInChI=1S/C22H28N2O2/c1-24(19-9-4-3-5-10-19)16-18-8-6-7-11-21(18)23-15-17-12-13-20(26-2)14-22(17)25/h6-8,11-15,19,25H,3-5,9-10,16H2,1-2H3/b23-15+
InChIKeyVLPHSCJLSCINSL-HZHRSRAPSA-N
MW352.48 g/mol
LogP4.92
Rot. Bonds6

About 2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]iminomethyl]-5-methoxyphenol

2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]iminomethyl]-5-methoxyphenol (PubChem CID 177466291) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]iminomethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]iminomethyl]-5-methoxyphenol
PubChem CID177466291
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]iminomethyl]-5-methoxyphenol
SMILESCOc1ccc(/C=N/c2ccccc2CN(C)C2CCCCC2)c(O)c1
InChIInChI=1S/C22H28N2O2/c1-24(19-9-4-3-5-10-19)16-18-8-6-7-11-21(18)23-15-17-12-13-20(26-2)14-22(17)25/h6-8,11-15,19,25H,3-5,9-10,16H2,1-2H3/b23-15+
InChIKeyVLPHSCJLSCINSL-HZHRSRAPSA-N
XLogP4.92
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.92
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

2-[(2-bromophenyl)iminomethyl]-5-methoxyphenol
CID 137224260
2-[[1-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-5-methoxyphenol
CID 136721460
N-[(2-methanehydrazonoylphenyl)methyl]-N-methylcyclohexanamine
CID 168529451
2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol
CID 82974737
2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-methoxyphenol
CID 82981858
2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol
CID 118815979
2-(ethyliminomethyl)-5-methoxyphenol
CID 144549332
2-[[cyclopentyl(methyl)amino]methyl]-5-propoxyphenol
CID 82974363
2-[[2-[anthracen-9-yl(methyl)amino]phenyl]iminomethyl]-4-methoxyphenol
CID 137225743
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78873256
2-[[1-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methoxyphenol
CID 136677845

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]iminomethyl]-5-methoxyphenol?
The IUPAC name of 2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]iminomethyl]-5-methoxyphenol (CID 177466291) is 2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]iminomethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]iminomethyl]-5-methoxyphenol?
The canonical SMILES for 2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]iminomethyl]-5-methoxyphenol is COc1ccc(/C=N/c2ccccc2CN(C)C2CCCCC2)c(O)c1.
What is the InChIKey of 2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]iminomethyl]-5-methoxyphenol?
The InChIKey is VLPHSCJLSCINSL-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-24(19-9-4-3-5-10-19)16-18-8-6-7-11-21(18)23-15-17-12-13-20(26-2)14-22(17)25/h6-8,11-15,19,25H,3-5,9-10,16H2,1-2H3/b23-15+.
What are the key properties of 2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]iminomethyl]-5-methoxyphenol?
2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]iminomethyl]-5-methoxyphenol has a molecular weight of 352.48 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]iminomethyl]-5-methoxyphenol is sourced from PubChem (CID 177466291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).