N-[3-[4-[2-(3,5-dimethylphenyl)ethenyl]phenyl]pentan-3-yl]aniline

C27H31N — CID 122484984

IUPACN-[3-[4-[2-(3,5-dimethylphenyl)ethenyl]phenyl]pentan-3-yl]aniline
SMILESCCC(CC)(Nc1ccccc1)c1ccc(C=Cc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C27H31N/c1-5-27(6-2,28-26-10-8-7-9-11-26)25-16-14-23(15-17-25)12-13-24-19-21(3)18-22(4)20-24/h7-20,28H,5-6H2,1-4H3
InChIKeyXFFMZLRXEMUJDA-UHFFFAOYSA-N
MW369.55 g/mol
LogP7.60
Rot. Bonds7

About N-[3-[4-[2-(3,5-dimethylphenyl)ethenyl]phenyl]pentan-3-yl]aniline

N-[3-[4-[2-(3,5-dimethylphenyl)ethenyl]phenyl]pentan-3-yl]aniline (PubChem CID 122484984) has the molecular formula C27H31N and a molecular weight of 369.55 g/mol. Its IUPAC name is N-[3-[4-[2-(3,5-dimethylphenyl)ethenyl]phenyl]pentan-3-yl]aniline.

Molecular Properties

Compound NameN-[3-[4-[2-(3,5-dimethylphenyl)ethenyl]phenyl]pentan-3-yl]aniline
PubChem CID122484984
Molecular FormulaC27H31N
Molecular Weight369.55 g/mol
Exact Mass369.25
IUPAC NameN-[3-[4-[2-(3,5-dimethylphenyl)ethenyl]phenyl]pentan-3-yl]aniline
SMILESCCC(CC)(Nc1ccccc1)c1ccc(C=Cc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C27H31N/c1-5-27(6-2,28-26-10-8-7-9-11-26)25-16-14-23(15-17-25)12-13-24-19-21(3)18-22(4)20-24/h7-20,28H,5-6H2,1-4H3
InChIKeyXFFMZLRXEMUJDA-UHFFFAOYSA-N
XLogP7.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[3-[4-[2-(3,5-dimethylphenyl)ethenyl]phenyl]pentan-3-yl]aniline 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 N-[3-[4-[2-(3,5-dimethylphenyl)ethenyl]phenyl]pentan-3-yl]aniline?
The IUPAC name of N-[3-[4-[2-(3,5-dimethylphenyl)ethenyl]phenyl]pentan-3-yl]aniline (CID 122484984) is N-[3-[4-[2-(3,5-dimethylphenyl)ethenyl]phenyl]pentan-3-yl]aniline.
What is the SMILES notation for N-[3-[4-[2-(3,5-dimethylphenyl)ethenyl]phenyl]pentan-3-yl]aniline?
The canonical SMILES for N-[3-[4-[2-(3,5-dimethylphenyl)ethenyl]phenyl]pentan-3-yl]aniline is CCC(CC)(Nc1ccccc1)c1ccc(C=Cc2cc(C)cc(C)c2)cc1.
What is the InChIKey of N-[3-[4-[2-(3,5-dimethylphenyl)ethenyl]phenyl]pentan-3-yl]aniline?
The InChIKey is XFFMZLRXEMUJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N/c1-5-27(6-2,28-26-10-8-7-9-11-26)25-16-14-23(15-17-25)12-13-24-19-21(3)18-22(4)20-24/h7-20,28H,5-6H2,1-4H3.
What are the key properties of N-[3-[4-[2-(3,5-dimethylphenyl)ethenyl]phenyl]pentan-3-yl]aniline?
N-[3-[4-[2-(3,5-dimethylphenyl)ethenyl]phenyl]pentan-3-yl]aniline has a molecular weight of 369.55 g/mol, XLogP of 7.60, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[2-(3,5-dimethylphenyl)ethenyl]phenyl]pentan-3-yl]aniline is sourced from PubChem (CID 122484984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).