4-[2-(4-fluoro-N-methylanilino)ethyl]benzaldehyde

C16H16FNO — CID 125499661

IUPAC4-[2-(4-fluoro-N-methylanilino)ethyl]benzaldehyde
SMILESCN(CCc1ccc(C=O)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO/c1-18(16-8-6-15(17)7-9-16)11-10-13-2-4-14(12-19)5-3-13/h2-9,12H,10-11H2,1H3
InChIKeyVUNWLGWIZGBMON-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.32
Rot. Bonds5

About 4-[2-(4-fluoro-N-methylanilino)ethyl]benzaldehyde

4-[2-(4-fluoro-N-methylanilino)ethyl]benzaldehyde (PubChem CID 125499661) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-[2-(4-fluoro-N-methylanilino)ethyl]benzaldehyde.

Molecular Properties

Compound Name4-[2-(4-fluoro-N-methylanilino)ethyl]benzaldehyde
PubChem CID125499661
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name4-[2-(4-fluoro-N-methylanilino)ethyl]benzaldehyde
SMILESCN(CCc1ccc(C=O)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO/c1-18(16-8-6-15(17)7-9-16)11-10-13-2-4-14(12-19)5-3-13/h2-9,12H,10-11H2,1H3
InChIKeyVUNWLGWIZGBMON-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluoro-N-methylanilino)ethyl]benzaldehyde?
The IUPAC name of 4-[2-(4-fluoro-N-methylanilino)ethyl]benzaldehyde (CID 125499661) is 4-[2-(4-fluoro-N-methylanilino)ethyl]benzaldehyde.
What is the SMILES notation for 4-[2-(4-fluoro-N-methylanilino)ethyl]benzaldehyde?
The canonical SMILES for 4-[2-(4-fluoro-N-methylanilino)ethyl]benzaldehyde is CN(CCc1ccc(C=O)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-[2-(4-fluoro-N-methylanilino)ethyl]benzaldehyde?
The InChIKey is VUNWLGWIZGBMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-18(16-8-6-15(17)7-9-16)11-10-13-2-4-14(12-19)5-3-13/h2-9,12H,10-11H2,1H3.
What are the key properties of 4-[2-(4-fluoro-N-methylanilino)ethyl]benzaldehyde?
4-[2-(4-fluoro-N-methylanilino)ethyl]benzaldehyde has a molecular weight of 257.31 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluoro-N-methylanilino)ethyl]benzaldehyde is sourced from PubChem (CID 125499661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).