4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]aniline

C16H18N2 — CID 5376919

IUPAC4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]aniline
SMILESCN(C)c1ccc(/C=C/c2ccc(N)cc2)cc1
InChIInChI=1S/C16H18N2/c1-18(2)16-11-7-14(8-12-16)4-3-13-5-9-15(17)10-6-13/h3-12H,17H2,1-2H3/b4-3+
InChIKeyGCHSJPKVJSMRDX-ONEGZZNKSA-N
MW238.33 g/mol
LogP3.51
Rot. Bonds3

About 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]aniline

4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]aniline (PubChem CID 5376919) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]aniline
PubChem CID5376919
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]aniline
SMILESCN(C)c1ccc(/C=C/c2ccc(N)cc2)cc1
InChIInChI=1S/C16H18N2/c1-18(2)16-11-7-14(8-12-16)4-3-13-5-9-15(17)10-6-13/h3-12H,17H2,1-2H3/b4-3+
InChIKeyGCHSJPKVJSMRDX-ONEGZZNKSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-(dimethylamino)phenyl]ethenyl]aniline?
The IUPAC name of 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]aniline (CID 5376919) is 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]aniline.
What is the SMILES notation for 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]aniline?
The canonical SMILES for 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]aniline is CN(C)c1ccc(/C=C/c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]aniline?
The InChIKey is GCHSJPKVJSMRDX-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H18N2/c1-18(2)16-11-7-14(8-12-16)4-3-13-5-9-15(17)10-6-13/h3-12H,17H2,1-2H3/b4-3+.
What are the key properties of 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]aniline?
4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]aniline has a molecular weight of 238.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]aniline is sourced from PubChem (CID 5376919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).