N-(2,6-dimethylphenyl)-2-phenylethanimine

C16H17N — CID 11251074

IUPACN-(2,6-dimethylphenyl)-2-phenylethanimine
SMILESCc1cccc(C)c1/N=C/Cc1ccccc1
InChIInChI=1S/C16H17N/c1-13-7-6-8-14(2)16(13)17-12-11-15-9-4-3-5-10-15/h3-10,12H,11H2,1-2H3/b17-12+
InChIKeyPBYLTIJKSZAOJL-SFQUDFHCSA-N
MW223.32 g/mol
LogP4.25
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2-phenylethanimine

N-(2,6-dimethylphenyl)-2-phenylethanimine (PubChem CID 11251074) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-phenylethanimine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-phenylethanimine
PubChem CID11251074
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC NameN-(2,6-dimethylphenyl)-2-phenylethanimine
SMILESCc1cccc(C)c1/N=C/Cc1ccccc1
InChIInChI=1S/C16H17N/c1-13-7-6-8-14(2)16(13)17-12-11-15-9-4-3-5-10-15/h3-10,12H,11H2,1-2H3/b17-12+
InChIKeyPBYLTIJKSZAOJL-SFQUDFHCSA-N
XLogP4.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2,6-dimethylphenyl)-2-phenylethanimine?
The IUPAC name of N-(2,6-dimethylphenyl)-2-phenylethanimine (CID 11251074) is N-(2,6-dimethylphenyl)-2-phenylethanimine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-phenylethanimine?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-phenylethanimine is Cc1cccc(C)c1/N=C/Cc1ccccc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-phenylethanimine?
The InChIKey is PBYLTIJKSZAOJL-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H17N/c1-13-7-6-8-14(2)16(13)17-12-11-15-9-4-3-5-10-15/h3-10,12H,11H2,1-2H3/b17-12+.
What are the key properties of N-(2,6-dimethylphenyl)-2-phenylethanimine?
N-(2,6-dimethylphenyl)-2-phenylethanimine has a molecular weight of 223.32 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-phenylethanimine is sourced from PubChem (CID 11251074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).