N-[2-[4-[2-(2,3-dimethylphenyl)ethenyl]phenyl]butan-2-yl]-2,4-dimethylaniline

C28H33N — CID 122484936

IUPACN-[2-[4-[2-(2,3-dimethylphenyl)ethenyl]phenyl]butan-2-yl]-2,4-dimethylaniline
SMILESCCC(C)(Nc1ccc(C)cc1C)c1ccc(C=Cc2cccc(C)c2C)cc1
InChIInChI=1S/C28H33N/c1-7-28(6,29-27-18-11-20(2)19-22(27)4)26-16-13-24(14-17-26)12-15-25-10-8-9-21(3)23(25)5/h8-19,29H,7H2,1-6H3
InChIKeyZQGCHDCHTNNNOV-UHFFFAOYSA-N
MW383.58 g/mol
LogP7.83
Rot. Bonds6

About N-[2-[4-[2-(2,3-dimethylphenyl)ethenyl]phenyl]butan-2-yl]-2,4-dimethylaniline

N-[2-[4-[2-(2,3-dimethylphenyl)ethenyl]phenyl]butan-2-yl]-2,4-dimethylaniline (PubChem CID 122484936) has the molecular formula C28H33N and a molecular weight of 383.58 g/mol. Its IUPAC name is N-[2-[4-[2-(2,3-dimethylphenyl)ethenyl]phenyl]butan-2-yl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[2-[4-[2-(2,3-dimethylphenyl)ethenyl]phenyl]butan-2-yl]-2,4-dimethylaniline
PubChem CID122484936
Molecular FormulaC28H33N
Molecular Weight383.58 g/mol
Exact Mass383.26
IUPAC NameN-[2-[4-[2-(2,3-dimethylphenyl)ethenyl]phenyl]butan-2-yl]-2,4-dimethylaniline
SMILESCCC(C)(Nc1ccc(C)cc1C)c1ccc(C=Cc2cccc(C)c2C)cc1
InChIInChI=1S/C28H33N/c1-7-28(6,29-27-18-11-20(2)19-22(27)4)26-16-13-24(14-17-26)12-15-25-10-8-9-21(3)23(25)5/h8-19,29H,7H2,1-6H3
InChIKeyZQGCHDCHTNNNOV-UHFFFAOYSA-N
XLogP7.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(2,3-dimethylphenyl)ethenyl]phenyl]butan-2-yl]-2,4-dimethylaniline?
The IUPAC name of N-[2-[4-[2-(2,3-dimethylphenyl)ethenyl]phenyl]butan-2-yl]-2,4-dimethylaniline (CID 122484936) is N-[2-[4-[2-(2,3-dimethylphenyl)ethenyl]phenyl]butan-2-yl]-2,4-dimethylaniline.
What is the SMILES notation for N-[2-[4-[2-(2,3-dimethylphenyl)ethenyl]phenyl]butan-2-yl]-2,4-dimethylaniline?
The canonical SMILES for N-[2-[4-[2-(2,3-dimethylphenyl)ethenyl]phenyl]butan-2-yl]-2,4-dimethylaniline is CCC(C)(Nc1ccc(C)cc1C)c1ccc(C=Cc2cccc(C)c2C)cc1.
What is the InChIKey of N-[2-[4-[2-(2,3-dimethylphenyl)ethenyl]phenyl]butan-2-yl]-2,4-dimethylaniline?
The InChIKey is ZQGCHDCHTNNNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N/c1-7-28(6,29-27-18-11-20(2)19-22(27)4)26-16-13-24(14-17-26)12-15-25-10-8-9-21(3)23(25)5/h8-19,29H,7H2,1-6H3.
What are the key properties of N-[2-[4-[2-(2,3-dimethylphenyl)ethenyl]phenyl]butan-2-yl]-2,4-dimethylaniline?
N-[2-[4-[2-(2,3-dimethylphenyl)ethenyl]phenyl]butan-2-yl]-2,4-dimethylaniline has a molecular weight of 383.58 g/mol, XLogP of 7.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(2,3-dimethylphenyl)ethenyl]phenyl]butan-2-yl]-2,4-dimethylaniline is sourced from PubChem (CID 122484936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).