4-[(E)-2-(3-methoxyphenyl)ethenyl]-N-methylaniline

C16H17NO — CID 52950185

IUPAC4-[(E)-2-(3-methoxyphenyl)ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2cccc(OC)c2)cc1
InChIInChI=1S/C16H17NO/c1-17-15-10-8-13(9-11-15)6-7-14-4-3-5-16(12-14)18-2/h3-12,17H,1-2H3/b7-6+
InChIKeyTWHAVEWPWVFFDU-VOTSOKGWSA-N
MW239.32 g/mol
LogP3.91
Rot. Bonds4

About 4-[(E)-2-(3-methoxyphenyl)ethenyl]-N-methylaniline

4-[(E)-2-(3-methoxyphenyl)ethenyl]-N-methylaniline (PubChem CID 52950185) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-[(E)-2-(3-methoxyphenyl)ethenyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(E)-2-(3-methoxyphenyl)ethenyl]-N-methylaniline
PubChem CID52950185
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name4-[(E)-2-(3-methoxyphenyl)ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2cccc(OC)c2)cc1
InChIInChI=1S/C16H17NO/c1-17-15-10-8-13(9-11-15)6-7-14-4-3-5-16(12-14)18-2/h3-12,17H,1-2H3/b7-6+
InChIKeyTWHAVEWPWVFFDU-VOTSOKGWSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3-methoxyphenyl)ethenyl]-N-methylaniline?
The IUPAC name of 4-[(E)-2-(3-methoxyphenyl)ethenyl]-N-methylaniline (CID 52950185) is 4-[(E)-2-(3-methoxyphenyl)ethenyl]-N-methylaniline.
What is the SMILES notation for 4-[(E)-2-(3-methoxyphenyl)ethenyl]-N-methylaniline?
The canonical SMILES for 4-[(E)-2-(3-methoxyphenyl)ethenyl]-N-methylaniline is CNc1ccc(/C=C/c2cccc(OC)c2)cc1.
What is the InChIKey of 4-[(E)-2-(3-methoxyphenyl)ethenyl]-N-methylaniline?
The InChIKey is TWHAVEWPWVFFDU-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H17NO/c1-17-15-10-8-13(9-11-15)6-7-14-4-3-5-16(12-14)18-2/h3-12,17H,1-2H3/b7-6+.
What are the key properties of 4-[(E)-2-(3-methoxyphenyl)ethenyl]-N-methylaniline?
4-[(E)-2-(3-methoxyphenyl)ethenyl]-N-methylaniline has a molecular weight of 239.32 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3-methoxyphenyl)ethenyl]-N-methylaniline is sourced from PubChem (CID 52950185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).