N-(2,4-dimethylphenyl)-1-(1-methylpyrrol-2-yl)methanimine

C14H16N2 — CID 126095341

IUPACN-(2,4-dimethylphenyl)-1-(1-methylpyrrol-2-yl)methanimine
SMILESCc1ccc(/N=C/c2cccn2C)c(C)c1
InChIInChI=1S/C14H16N2/c1-11-6-7-14(12(2)9-11)15-10-13-5-4-8-16(13)3/h4-10H,1-3H3/b15-10+
InChIKeyMLUNPALESUTKQK-XNTDXEJSSA-N
MW212.30 g/mol
LogP3.39
Rot. Bonds2

About N-(2,4-dimethylphenyl)-1-(1-methylpyrrol-2-yl)methanimine

N-(2,4-dimethylphenyl)-1-(1-methylpyrrol-2-yl)methanimine (PubChem CID 126095341) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-(1-methylpyrrol-2-yl)methanimine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-(1-methylpyrrol-2-yl)methanimine
PubChem CID126095341
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC NameN-(2,4-dimethylphenyl)-1-(1-methylpyrrol-2-yl)methanimine
SMILESCc1ccc(/N=C/c2cccn2C)c(C)c1
InChIInChI=1S/C14H16N2/c1-11-6-7-14(12(2)9-11)15-10-13-5-4-8-16(13)3/h4-10H,1-3H3/b15-10+
InChIKeyMLUNPALESUTKQK-XNTDXEJSSA-N
XLogP3.39
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.39
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-(2,4-dimethylphenyl)-1-(1-methylpyrrol-2-yl)methanimine?
The IUPAC name of N-(2,4-dimethylphenyl)-1-(1-methylpyrrol-2-yl)methanimine (CID 126095341) is N-(2,4-dimethylphenyl)-1-(1-methylpyrrol-2-yl)methanimine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-(1-methylpyrrol-2-yl)methanimine?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-(1-methylpyrrol-2-yl)methanimine is Cc1ccc(/N=C/c2cccn2C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-(1-methylpyrrol-2-yl)methanimine?
The InChIKey is MLUNPALESUTKQK-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H16N2/c1-11-6-7-14(12(2)9-11)15-10-13-5-4-8-16(13)3/h4-10H,1-3H3/b15-10+.
What are the key properties of N-(2,4-dimethylphenyl)-1-(1-methylpyrrol-2-yl)methanimine?
N-(2,4-dimethylphenyl)-1-(1-methylpyrrol-2-yl)methanimine has a molecular weight of 212.30 g/mol, XLogP of 3.39, 2 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-methylpyrrol-2-yl)methanimine is sourced from PubChem (CID 126095341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).