4-[1-(2,4-dimethylphenyl)-2-phenylethenyl]-N,N-diethylaniline

C26H29N — CID 67654741

IUPAC4-[1-(2,4-dimethylphenyl)-2-phenylethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C(=Cc2ccccc2)c2ccc(C)cc2C)cc1
InChIInChI=1S/C26H29N/c1-5-27(6-2)24-15-13-23(14-16-24)26(19-22-10-8-7-9-11-22)25-17-12-20(3)18-21(25)4/h7-19H,5-6H2,1-4H3
InChIKeyIYMUGSZNBSHIAD-UHFFFAOYSA-N
MW355.53 g/mol
LogP6.74
Rot. Bonds6

About 4-[1-(2,4-dimethylphenyl)-2-phenylethenyl]-N,N-diethylaniline

4-[1-(2,4-dimethylphenyl)-2-phenylethenyl]-N,N-diethylaniline (PubChem CID 67654741) has the molecular formula C26H29N and a molecular weight of 355.53 g/mol. Its IUPAC name is 4-[1-(2,4-dimethylphenyl)-2-phenylethenyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[1-(2,4-dimethylphenyl)-2-phenylethenyl]-N,N-diethylaniline
PubChem CID67654741
Molecular FormulaC26H29N
Molecular Weight355.53 g/mol
Exact Mass355.23
IUPAC Name4-[1-(2,4-dimethylphenyl)-2-phenylethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C(=Cc2ccccc2)c2ccc(C)cc2C)cc1
InChIInChI=1S/C26H29N/c1-5-27(6-2)24-15-13-23(14-16-24)26(19-22-10-8-7-9-11-22)25-17-12-20(3)18-21(25)4/h7-19H,5-6H2,1-4H3
InChIKeyIYMUGSZNBSHIAD-UHFFFAOYSA-N
XLogP6.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.53
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[1-(2,4-dimethylphenyl)-2-phenylethenyl]-N,N-diethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(Z)-1,2-diphenylethenyl]-2,4-dimethylbenzene
CID 155936841
4-[(Z)-2-[3-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline
CID 59935157
4-[(Z)-2-[4-[4-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline
CID 59935150
N-[4-[(E)-2-(2,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4-dimethylaniline
CID 20813136
1-(2,4-dimethylphenyl)-2-(N-ethylanilino)ethanone
CID 21420194
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
N,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline
CID 71344437
2-[(E)-1,2-diphenylethenyl]-N,N,4-trimethylbenzamide
CID 71527195
4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde
CID 59080163
N-[4-[(E)-2-[2-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline
CID 59833991
2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene
CID 12611498
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 22899856

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-dimethylphenyl)-2-phenylethenyl]-N,N-diethylaniline?
The IUPAC name of 4-[1-(2,4-dimethylphenyl)-2-phenylethenyl]-N,N-diethylaniline (CID 67654741) is 4-[1-(2,4-dimethylphenyl)-2-phenylethenyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[1-(2,4-dimethylphenyl)-2-phenylethenyl]-N,N-diethylaniline?
The canonical SMILES for 4-[1-(2,4-dimethylphenyl)-2-phenylethenyl]-N,N-diethylaniline is CCN(CC)c1ccc(C(=Cc2ccccc2)c2ccc(C)cc2C)cc1.
What is the InChIKey of 4-[1-(2,4-dimethylphenyl)-2-phenylethenyl]-N,N-diethylaniline?
The InChIKey is IYMUGSZNBSHIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N/c1-5-27(6-2)24-15-13-23(14-16-24)26(19-22-10-8-7-9-11-22)25-17-12-20(3)18-21(25)4/h7-19H,5-6H2,1-4H3.
What are the key properties of 4-[1-(2,4-dimethylphenyl)-2-phenylethenyl]-N,N-diethylaniline?
4-[1-(2,4-dimethylphenyl)-2-phenylethenyl]-N,N-diethylaniline has a molecular weight of 355.53 g/mol, XLogP of 6.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4-dimethylphenyl)-2-phenylethenyl]-N,N-diethylaniline is sourced from PubChem (CID 67654741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).