1-(2,6-dimethylphenyl)-N-methyl-1-phenylmethanimine

C16H17N — CID 1203670

IUPAC1-(2,6-dimethylphenyl)-N-methyl-1-phenylmethanimine
SMILESC/N=C(\c1ccccc1)c1c(C)cccc1C
InChIInChI=1S/C16H17N/c1-12-8-7-9-13(2)15(12)16(17-3)14-10-5-4-6-11-14/h4-11H,1-3H3/b17-16+
InChIKeyPIHUONJWDXRQFS-WUKNDPDISA-N
MW223.32 g/mol
LogP3.77
Rot. Bonds2

About 1-(2,6-dimethylphenyl)-N-methyl-1-phenylmethanimine

1-(2,6-dimethylphenyl)-N-methyl-1-phenylmethanimine (PubChem CID 1203670) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-N-methyl-1-phenylmethanimine.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-N-methyl-1-phenylmethanimine
PubChem CID1203670
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name1-(2,6-dimethylphenyl)-N-methyl-1-phenylmethanimine
SMILESC/N=C(\c1ccccc1)c1c(C)cccc1C
InChIInChI=1S/C16H17N/c1-12-8-7-9-13(2)15(12)16(17-3)14-10-5-4-6-11-14/h4-11H,1-3H3/b17-16+
InChIKeyPIHUONJWDXRQFS-WUKNDPDISA-N
XLogP3.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2,6-dimethylphenyl)-N-methyl-1-phenylmethanimine 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 1-(2,6-dimethylphenyl)-N-methyl-1-phenylmethanimine?
The IUPAC name of 1-(2,6-dimethylphenyl)-N-methyl-1-phenylmethanimine (CID 1203670) is 1-(2,6-dimethylphenyl)-N-methyl-1-phenylmethanimine.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-N-methyl-1-phenylmethanimine?
The canonical SMILES for 1-(2,6-dimethylphenyl)-N-methyl-1-phenylmethanimine is C/N=C(\c1ccccc1)c1c(C)cccc1C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-N-methyl-1-phenylmethanimine?
The InChIKey is PIHUONJWDXRQFS-WUKNDPDISA-N. The full InChI is InChI=1S/C16H17N/c1-12-8-7-9-13(2)15(12)16(17-3)14-10-5-4-6-11-14/h4-11H,1-3H3/b17-16+.
What are the key properties of 1-(2,6-dimethylphenyl)-N-methyl-1-phenylmethanimine?
1-(2,6-dimethylphenyl)-N-methyl-1-phenylmethanimine has a molecular weight of 223.32 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-N-methyl-1-phenylmethanimine is sourced from PubChem (CID 1203670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).