N-(2,4-dimethylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine

C16H20N2 — CID 50853689

IUPACN-(2,4-dimethylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine
SMILESCc1ccc(/N=C/c2ccn(C(C)C)c2)c(C)c1
InChIInChI=1S/C16H20N2/c1-12(2)18-8-7-15(11-18)10-17-16-6-5-13(3)9-14(16)4/h5-12H,1-4H3/b17-10+
InChIKeyMMSLGPKBSLQFLL-LICLKQGHSA-N
MW240.35 g/mol
LogP4.44
Rot. Bonds3

About N-(2,4-dimethylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine

N-(2,4-dimethylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine (PubChem CID 50853689) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine
PubChem CID50853689
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-(2,4-dimethylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine
SMILESCc1ccc(/N=C/c2ccn(C(C)C)c2)c(C)c1
InChIInChI=1S/C16H20N2/c1-12(2)18-8-7-15(11-18)10-17-16-6-5-13(3)9-14(16)4/h5-12H,1-4H3/b17-10+
InChIKeyMMSLGPKBSLQFLL-LICLKQGHSA-N
XLogP4.44
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,4-dimethylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)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-(2,4-dimethylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine?
The IUPAC name of N-(2,4-dimethylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine (CID 50853689) is N-(2,4-dimethylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine is Cc1ccc(/N=C/c2ccn(C(C)C)c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine?
The InChIKey is MMSLGPKBSLQFLL-LICLKQGHSA-N. The full InChI is InChI=1S/C16H20N2/c1-12(2)18-8-7-15(11-18)10-17-16-6-5-13(3)9-14(16)4/h5-12H,1-4H3/b17-10+.
What are the key properties of N-(2,4-dimethylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine?
N-(2,4-dimethylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine has a molecular weight of 240.35 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine is sourced from PubChem (CID 50853689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).