N-(4-ethylphenyl)-1-(3-methyl-4-pyrrolidin-1-ylphenyl)methanimine

C20H24N2 — CID 23934132

IUPACN-(4-ethylphenyl)-1-(3-methyl-4-pyrrolidin-1-ylphenyl)methanimine
SMILESCCc1ccc(/N=C/c2ccc(N3CCCC3)c(C)c2)cc1
InChIInChI=1S/C20H24N2/c1-3-17-6-9-19(10-7-17)21-15-18-8-11-20(16(2)14-18)22-12-4-5-13-22/h6-11,14-15H,3-5,12-13H2,1-2H3/b21-15+
InChIKeyXHCWLNLDSZTZKX-RCCKNPSSSA-N
MW292.43 g/mol
LogP4.91
Rot. Bonds4

About N-(4-ethylphenyl)-1-(3-methyl-4-pyrrolidin-1-ylphenyl)methanimine

N-(4-ethylphenyl)-1-(3-methyl-4-pyrrolidin-1-ylphenyl)methanimine (PubChem CID 23934132) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-(3-methyl-4-pyrrolidin-1-ylphenyl)methanimine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-(3-methyl-4-pyrrolidin-1-ylphenyl)methanimine
PubChem CID23934132
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC NameN-(4-ethylphenyl)-1-(3-methyl-4-pyrrolidin-1-ylphenyl)methanimine
SMILESCCc1ccc(/N=C/c2ccc(N3CCCC3)c(C)c2)cc1
InChIInChI=1S/C20H24N2/c1-3-17-6-9-19(10-7-17)21-15-18-8-11-20(16(2)14-18)22-12-4-5-13-22/h6-11,14-15H,3-5,12-13H2,1-2H3/b21-15+
InChIKeyXHCWLNLDSZTZKX-RCCKNPSSSA-N
XLogP4.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-(4-ethylphenyl)-1-(3-methyl-4-pyrrolidin-1-ylphenyl)methanimine?
The IUPAC name of N-(4-ethylphenyl)-1-(3-methyl-4-pyrrolidin-1-ylphenyl)methanimine (CID 23934132) is N-(4-ethylphenyl)-1-(3-methyl-4-pyrrolidin-1-ylphenyl)methanimine.
What is the SMILES notation for N-(4-ethylphenyl)-1-(3-methyl-4-pyrrolidin-1-ylphenyl)methanimine?
The canonical SMILES for N-(4-ethylphenyl)-1-(3-methyl-4-pyrrolidin-1-ylphenyl)methanimine is CCc1ccc(/N=C/c2ccc(N3CCCC3)c(C)c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-(3-methyl-4-pyrrolidin-1-ylphenyl)methanimine?
The InChIKey is XHCWLNLDSZTZKX-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H24N2/c1-3-17-6-9-19(10-7-17)21-15-18-8-11-20(16(2)14-18)22-12-4-5-13-22/h6-11,14-15H,3-5,12-13H2,1-2H3/b21-15+.
What are the key properties of N-(4-ethylphenyl)-1-(3-methyl-4-pyrrolidin-1-ylphenyl)methanimine?
N-(4-ethylphenyl)-1-(3-methyl-4-pyrrolidin-1-ylphenyl)methanimine has a molecular weight of 292.43 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-(3-methyl-4-pyrrolidin-1-ylphenyl)methanimine is sourced from PubChem (CID 23934132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).