1-(4-methoxyphenyl)-N-[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methanimine

C22H26N2O2 — CID 11348682

IUPAC1-(4-methoxyphenyl)-N-[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methanimine
SMILESCOc1ccc(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H26N2O2/c1-25-19-11-7-17(8-12-19)15-23-21-5-3-4-6-22(21)24-16-18-9-13-20(26-2)14-10-18/h7-16,21-22H,3-6H2,1-2H3/b23-15+,24-16+/t21-,22-/m1/s1
InChIKeyDAICNAOYOGRPMY-NYIBHGEWSA-N
MW350.46 g/mol
LogP4.55
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methanimine

1-(4-methoxyphenyl)-N-[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methanimine (PubChem CID 11348682) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methanimine
PubChem CID11348682
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-(4-methoxyphenyl)-N-[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methanimine
SMILESCOc1ccc(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H26N2O2/c1-25-19-11-7-17(8-12-19)15-23-21-5-3-4-6-22(21)24-16-18-9-13-20(26-2)14-10-18/h7-16,21-22H,3-6H2,1-2H3/b23-15+,24-16+/t21-,22-/m1/s1
InChIKeyDAICNAOYOGRPMY-NYIBHGEWSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methanimine (CID 11348682) is 1-(4-methoxyphenyl)-N-[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methanimine is COc1ccc(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methanimine?
The InChIKey is DAICNAOYOGRPMY-NYIBHGEWSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-25-19-11-7-17(8-12-19)15-23-21-5-3-4-6-22(21)24-16-18-9-13-20(26-2)14-10-18/h7-16,21-22H,3-6H2,1-2H3/b23-15+,24-16+/t21-,22-/m1/s1.
What are the key properties of 1-(4-methoxyphenyl)-N-[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methanimine?
1-(4-methoxyphenyl)-N-[(1R,2R)-2-[(4-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-(4-methoxyphenyl)-N-[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methanimine is sourced from PubChem (CID 11348682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).