N-(4-butylphenyl)-1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methanimine

C23H30N2O2 — CID 126101000

IUPACN-(4-butylphenyl)-1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methanimine
SMILESCCCCc1ccc(/N=C/c2cc(OC)c(N3CCCC3)cc2OC)cc1
InChIInChI=1S/C23H30N2O2/c1-4-5-8-18-9-11-20(12-10-18)24-17-19-15-23(27-3)21(16-22(19)26-2)25-13-6-7-14-25/h9-12,15-17H,4-8,13-14H2,1-3H3/b24-17+
InChIKeyFIMYVFONSSJNGU-JJIBRWJFSA-N
MW366.51 g/mol
LogP5.40
Rot. Bonds8

About N-(4-butylphenyl)-1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methanimine

N-(4-butylphenyl)-1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methanimine (PubChem CID 126101000) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-(4-butylphenyl)-1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methanimine.

Molecular Properties

Compound NameN-(4-butylphenyl)-1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methanimine
PubChem CID126101000
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-(4-butylphenyl)-1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methanimine
SMILESCCCCc1ccc(/N=C/c2cc(OC)c(N3CCCC3)cc2OC)cc1
InChIInChI=1S/C23H30N2O2/c1-4-5-8-18-9-11-20(12-10-18)24-17-19-15-23(27-3)21(16-22(19)26-2)25-13-6-7-14-25/h9-12,15-17H,4-8,13-14H2,1-3H3/b24-17+
InChIKeyFIMYVFONSSJNGU-JJIBRWJFSA-N
XLogP5.40
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-butylphenyl)-1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methanimine?
The IUPAC name of N-(4-butylphenyl)-1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methanimine (CID 126101000) is N-(4-butylphenyl)-1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methanimine.
What is the SMILES notation for N-(4-butylphenyl)-1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methanimine?
The canonical SMILES for N-(4-butylphenyl)-1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methanimine is CCCCc1ccc(/N=C/c2cc(OC)c(N3CCCC3)cc2OC)cc1.
What is the InChIKey of N-(4-butylphenyl)-1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methanimine?
The InChIKey is FIMYVFONSSJNGU-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-4-5-8-18-9-11-20(12-10-18)24-17-19-15-23(27-3)21(16-22(19)26-2)25-13-6-7-14-25/h9-12,15-17H,4-8,13-14H2,1-3H3/b24-17+.
What are the key properties of N-(4-butylphenyl)-1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methanimine?
N-(4-butylphenyl)-1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methanimine has a molecular weight of 366.51 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methanimine is sourced from PubChem (CID 126101000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).