4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-fluoro-N,N-dimethylaniline

C18H21FN2 — CID 168830159

IUPAC4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-fluoro-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2ccc(N(C)C)c(F)c2)cc1
InChIInChI=1S/C18H21FN2/c1-20(2)16-10-7-14(8-11-16)5-6-15-9-12-18(21(3)4)17(19)13-15/h5-13H,1-4H3/b6-5+
InChIKeyMZFTWAIJWMNEQI-AATRIKPKSA-N
MW284.38 g/mol
LogP4.13
Rot. Bonds4

About 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-fluoro-N,N-dimethylaniline

4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-fluoro-N,N-dimethylaniline (PubChem CID 168830159) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-fluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-fluoro-N,N-dimethylaniline
PubChem CID168830159
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-fluoro-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2ccc(N(C)C)c(F)c2)cc1
InChIInChI=1S/C18H21FN2/c1-20(2)16-10-7-14(8-11-16)5-6-15-9-12-18(21(3)4)17(19)13-15/h5-13H,1-4H3/b6-5+
InChIKeyMZFTWAIJWMNEQI-AATRIKPKSA-N
XLogP4.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.13
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-(dimethylamino)phenyl]ethenyl]-2-fluoro-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-fluoro-N,N-dimethylaniline (CID 168830159) is 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-fluoro-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-fluoro-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-fluoro-N,N-dimethylaniline is CN(C)c1ccc(/C=C/c2ccc(N(C)C)c(F)c2)cc1.
What is the InChIKey of 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-fluoro-N,N-dimethylaniline?
The InChIKey is MZFTWAIJWMNEQI-AATRIKPKSA-N. The full InChI is InChI=1S/C18H21FN2/c1-20(2)16-10-7-14(8-11-16)5-6-15-9-12-18(21(3)4)17(19)13-15/h5-13H,1-4H3/b6-5+.
What are the key properties of 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-fluoro-N,N-dimethylaniline?
4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-fluoro-N,N-dimethylaniline has a molecular weight of 284.38 g/mol, XLogP of 4.13, 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-(dimethylamino)phenyl]ethenyl]-2-fluoro-N,N-dimethylaniline is sourced from PubChem (CID 168830159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).