1-(2-methoxyphenyl)-N-[(1R,2R)-2-[(2-methoxyphenyl)methylideneamino]cyclohexyl]methanimine

C22H26N2O2 — CID 11268143

IUPAC1-(2-methoxyphenyl)-N-[(1R,2R)-2-[(2-methoxyphenyl)methylideneamino]cyclohexyl]methanimine
SMILESCOc1ccccc1/C=N/[C@@H]1CCCC[C@H]1/N=C/c1ccccc1OC
InChIInChI=1S/C22H26N2O2/c1-25-21-13-7-3-9-17(21)15-23-19-11-5-6-12-20(19)24-16-18-10-4-8-14-22(18)26-2/h3-4,7-10,13-16,19-20H,5-6,11-12H2,1-2H3/b23-15+,24-16+/t19-,20-/m1/s1
InChIKeyTUAOUDALJNWLLW-XADFGDBWSA-N
MW350.46 g/mol
LogP4.55
Rot. Bonds6

About 1-(2-methoxyphenyl)-N-[(1R,2R)-2-[(2-methoxyphenyl)methylideneamino]cyclohexyl]methanimine

1-(2-methoxyphenyl)-N-[(1R,2R)-2-[(2-methoxyphenyl)methylideneamino]cyclohexyl]methanimine (PubChem CID 11268143) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[(1R,2R)-2-[(2-methoxyphenyl)methylideneamino]cyclohexyl]methanimine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[(1R,2R)-2-[(2-methoxyphenyl)methylideneamino]cyclohexyl]methanimine
PubChem CID11268143
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-(2-methoxyphenyl)-N-[(1R,2R)-2-[(2-methoxyphenyl)methylideneamino]cyclohexyl]methanimine
SMILESCOc1ccccc1/C=N/[C@@H]1CCCC[C@H]1/N=C/c1ccccc1OC
InChIInChI=1S/C22H26N2O2/c1-25-21-13-7-3-9-17(21)15-23-19-11-5-6-12-20(19)24-16-18-10-4-8-14-22(18)26-2/h3-4,7-10,13-16,19-20H,5-6,11-12H2,1-2H3/b23-15+,24-16+/t19-,20-/m1/s1
InChIKeyTUAOUDALJNWLLW-XADFGDBWSA-N
XLogP4.55
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

copper;2-[[(1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 135501676
1-(2-phosphanylphenyl)-N-[(1S,2S)-2-[(2-phosphanylphenyl)methylideneamino]cyclohexyl]methanimine
CID 135032202
copper bis(2-(cyclopentyliminomethyl)-6-methoxyphenolate)
CID 139072232
cobalt(2+);bis(2-(cyclohexyliminomethyl)-6-methoxyphenolate)
CID 139206912
3-[[(1R,2R)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-1-(2-methoxynaphthalen-1-yl)naphthalen-2-ol
CID 136731917
2-[[2-[[2-hydroxy-3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]phenyl]phenol
CID 135889324
1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine
CID 11332064
2-[[2-[[2-hydroxy-3-methoxy-5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methoxy-4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]phenol;manganese(2+);chloride
CID 135889345
2-[(E)-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135478776
ethane;1-(2-methoxyphenyl)-N-phenylmethanimine
CID 176714892
1-(2-diphenylphosphanylphenyl)-N-[(1R,2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine;iron(2+);dichloride
CID 173187520
2-fluoro-6-[[(1R,2R)-2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 139203860

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[(1R,2R)-2-[(2-methoxyphenyl)methylideneamino]cyclohexyl]methanimine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[(1R,2R)-2-[(2-methoxyphenyl)methylideneamino]cyclohexyl]methanimine (CID 11268143) is 1-(2-methoxyphenyl)-N-[(1R,2R)-2-[(2-methoxyphenyl)methylideneamino]cyclohexyl]methanimine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[(1R,2R)-2-[(2-methoxyphenyl)methylideneamino]cyclohexyl]methanimine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[(1R,2R)-2-[(2-methoxyphenyl)methylideneamino]cyclohexyl]methanimine is COc1ccccc1/C=N/[C@@H]1CCCC[C@H]1/N=C/c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[(1R,2R)-2-[(2-methoxyphenyl)methylideneamino]cyclohexyl]methanimine?
The InChIKey is TUAOUDALJNWLLW-XADFGDBWSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-25-21-13-7-3-9-17(21)15-23-19-11-5-6-12-20(19)24-16-18-10-4-8-14-22(18)26-2/h3-4,7-10,13-16,19-20H,5-6,11-12H2,1-2H3/b23-15+,24-16+/t19-,20-/m1/s1.
What are the key properties of 1-(2-methoxyphenyl)-N-[(1R,2R)-2-[(2-methoxyphenyl)methylideneamino]cyclohexyl]methanimine?
1-(2-methoxyphenyl)-N-[(1R,2R)-2-[(2-methoxyphenyl)methylideneamino]cyclohexyl]methanimine has a molecular weight of 350.46 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[(1R,2R)-2-[(2-methoxyphenyl)methylideneamino]cyclohexyl]methanimine is sourced from PubChem (CID 11268143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).