1-(2,4-dimethoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]methanimine

C21H25NO2 — CID 745018

IUPAC1-(2,4-dimethoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]methanimine
SMILESCOc1ccc(/C=N/CC2(c3ccccc3)CCCC2)c(OC)c1
InChIInChI=1S/C21H25NO2/c1-23-19-11-10-17(20(14-19)24-2)15-22-16-21(12-6-7-13-21)18-8-4-3-5-9-18/h3-5,8-11,14-15H,6-7,12-13,16H2,1-2H3/b22-15+
InChIKeyZPSLJTNCHNQLDN-PXLXIMEGSA-N
MW323.44 g/mol
LogP4.63
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]methanimine

1-(2,4-dimethoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]methanimine (PubChem CID 745018) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]methanimine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]methanimine
PubChem CID745018
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name1-(2,4-dimethoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]methanimine
SMILESCOc1ccc(/C=N/CC2(c3ccccc3)CCCC2)c(OC)c1
InChIInChI=1S/C21H25NO2/c1-23-19-11-10-17(20(14-19)24-2)15-22-16-21(12-6-7-13-21)18-8-4-3-5-9-18/h3-5,8-11,14-15H,6-7,12-13,16H2,1-2H3/b22-15+
InChIKeyZPSLJTNCHNQLDN-PXLXIMEGSA-N
XLogP4.63
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,4-dimethoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]methanimine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]methanimine (CID 745018) is 1-(2,4-dimethoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]methanimine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]methanimine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]methanimine is COc1ccc(/C=N/CC2(c3ccccc3)CCCC2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]methanimine?
The InChIKey is ZPSLJTNCHNQLDN-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H25NO2/c1-23-19-11-10-17(20(14-19)24-2)15-22-16-21(12-6-7-13-21)18-8-4-3-5-9-18/h3-5,8-11,14-15H,6-7,12-13,16H2,1-2H3/b22-15+.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]methanimine?
1-(2,4-dimethoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]methanimine has a molecular weight of 323.44 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]methanimine is sourced from PubChem (CID 745018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).