4-[(E)-2-(4-methoxyphenyl)ethenyl]-N,N-dimethylaniline

C17H19NO — CID 5463087

IUPAC4-[(E)-2-(4-methoxyphenyl)ethenyl]-N,N-dimethylaniline
SMILESCOc1ccc(/C=C/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H19NO/c1-18(2)16-10-6-14(7-11-16)4-5-15-8-12-17(19-3)13-9-15/h4-13H,1-3H3/b5-4+
InChIKeyJUYQPNFEYIPHFM-SNAWJCMRSA-N
MW253.34 g/mol
LogP3.93
Rot. Bonds4

About 4-[(E)-2-(4-methoxyphenyl)ethenyl]-N,N-dimethylaniline

4-[(E)-2-(4-methoxyphenyl)ethenyl]-N,N-dimethylaniline (PubChem CID 5463087) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-[(E)-2-(4-methoxyphenyl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-(4-methoxyphenyl)ethenyl]-N,N-dimethylaniline
PubChem CID5463087
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name4-[(E)-2-(4-methoxyphenyl)ethenyl]-N,N-dimethylaniline
SMILESCOc1ccc(/C=C/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H19NO/c1-18(2)16-10-6-14(7-11-16)4-5-15-8-12-17(19-3)13-9-15/h4-13H,1-3H3/b5-4+
InChIKeyJUYQPNFEYIPHFM-SNAWJCMRSA-N
XLogP3.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-methoxyphenyl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-(4-methoxyphenyl)ethenyl]-N,N-dimethylaniline (CID 5463087) is 4-[(E)-2-(4-methoxyphenyl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-(4-methoxyphenyl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-(4-methoxyphenyl)ethenyl]-N,N-dimethylaniline is COc1ccc(/C=C/c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-methoxyphenyl)ethenyl]-N,N-dimethylaniline?
The InChIKey is JUYQPNFEYIPHFM-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H19NO/c1-18(2)16-10-6-14(7-11-16)4-5-15-8-12-17(19-3)13-9-15/h4-13H,1-3H3/b5-4+.
What are the key properties of 4-[(E)-2-(4-methoxyphenyl)ethenyl]-N,N-dimethylaniline?
4-[(E)-2-(4-methoxyphenyl)ethenyl]-N,N-dimethylaniline has a molecular weight of 253.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-methoxyphenyl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 5463087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).