4-[[4-(dimethylamino)phenyl]-(3-ethenylphenyl)methyl]-N,N-dimethylaniline

C25H28N2 — CID 70462536

IUPAC4-[[4-(dimethylamino)phenyl]-(3-ethenylphenyl)methyl]-N,N-dimethylaniline
SMILESC=Cc1cccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C25H28N2/c1-6-19-8-7-9-22(18-19)25(20-10-14-23(15-11-20)26(2)3)21-12-16-24(17-13-21)27(4)5/h6-18,25H,1H2,2-5H3
InChIKeyMBBMMPDTZBLVOE-UHFFFAOYSA-N
MW356.51 g/mol
LogP5.64
Rot. Bonds6

About 4-[[4-(dimethylamino)phenyl]-(3-ethenylphenyl)methyl]-N,N-dimethylaniline

4-[[4-(dimethylamino)phenyl]-(3-ethenylphenyl)methyl]-N,N-dimethylaniline (PubChem CID 70462536) has the molecular formula C25H28N2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]-(3-ethenylphenyl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]-(3-ethenylphenyl)methyl]-N,N-dimethylaniline
PubChem CID70462536
Molecular FormulaC25H28N2
Molecular Weight356.51 g/mol
Exact Mass356.23
IUPAC Name4-[[4-(dimethylamino)phenyl]-(3-ethenylphenyl)methyl]-N,N-dimethylaniline
SMILESC=Cc1cccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C25H28N2/c1-6-19-8-7-9-22(18-19)25(20-10-14-23(15-11-20)26(2)3)21-12-16-24(17-13-21)27(4)5/h6-18,25H,1H2,2-5H3
InChIKeyMBBMMPDTZBLVOE-UHFFFAOYSA-N
XLogP5.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]-(3-ethenylphenyl)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]-(3-ethenylphenyl)methyl]-N,N-dimethylaniline (CID 70462536) is 4-[[4-(dimethylamino)phenyl]-(3-ethenylphenyl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]-(3-ethenylphenyl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]-(3-ethenylphenyl)methyl]-N,N-dimethylaniline is C=Cc1cccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]-(3-ethenylphenyl)methyl]-N,N-dimethylaniline?
The InChIKey is MBBMMPDTZBLVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2/c1-6-19-8-7-9-22(18-19)25(20-10-14-23(15-11-20)26(2)3)21-12-16-24(17-13-21)27(4)5/h6-18,25H,1H2,2-5H3.
What are the key properties of 4-[[4-(dimethylamino)phenyl]-(3-ethenylphenyl)methyl]-N,N-dimethylaniline?
4-[[4-(dimethylamino)phenyl]-(3-ethenylphenyl)methyl]-N,N-dimethylaniline has a molecular weight of 356.51 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]-(3-ethenylphenyl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 70462536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).