N-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrrol-2-yl)methanimine

C15H18N2 — CID 50855999

IUPACN-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrrol-2-yl)methanimine
SMILESCc1ccc(C)c(/N=C/c2ccc(C)n2C)c1
InChIInChI=1S/C15H18N2/c1-11-5-6-12(2)15(9-11)16-10-14-8-7-13(3)17(14)4/h5-10H,1-4H3/b16-10+
InChIKeyMONXLHJWLFCOBQ-MHWRWJLKSA-N
MW226.32 g/mol
LogP3.70
Rot. Bonds2

About N-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrrol-2-yl)methanimine

N-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrrol-2-yl)methanimine (PubChem CID 50855999) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrrol-2-yl)methanimine.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrrol-2-yl)methanimine
PubChem CID50855999
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrrol-2-yl)methanimine
SMILESCc1ccc(C)c(/N=C/c2ccc(C)n2C)c1
InChIInChI=1S/C15H18N2/c1-11-5-6-12(2)15(9-11)16-10-14-8-7-13(3)17(14)4/h5-10H,1-4H3/b16-10+
InChIKeyMONXLHJWLFCOBQ-MHWRWJLKSA-N
XLogP3.70
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.70
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-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrrol-2-yl)methanimine?
The IUPAC name of N-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrrol-2-yl)methanimine (CID 50855999) is N-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrrol-2-yl)methanimine.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrrol-2-yl)methanimine?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrrol-2-yl)methanimine is Cc1ccc(C)c(/N=C/c2ccc(C)n2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrrol-2-yl)methanimine?
The InChIKey is MONXLHJWLFCOBQ-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H18N2/c1-11-5-6-12(2)15(9-11)16-10-14-8-7-13(3)17(14)4/h5-10H,1-4H3/b16-10+.
What are the key properties of N-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrrol-2-yl)methanimine?
N-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrrol-2-yl)methanimine has a molecular weight of 226.32 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrrol-2-yl)methanimine is sourced from PubChem (CID 50855999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).