3-[4-(dimethylamino)phenyl]-4-fluorobenzaldehyde

C15H14FNO — CID 39232113

IUPAC3-[4-(dimethylamino)phenyl]-4-fluorobenzaldehyde
SMILESCN(C)c1ccc(-c2cc(C=O)ccc2F)cc1
InChIInChI=1S/C15H14FNO/c1-17(2)13-6-4-12(5-7-13)14-9-11(10-18)3-8-15(14)16/h3-10H,1-2H3
InChIKeyJSHHIIADWKBOFA-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.37
Rot. Bonds3

About 3-[4-(dimethylamino)phenyl]-4-fluorobenzaldehyde

3-[4-(dimethylamino)phenyl]-4-fluorobenzaldehyde (PubChem CID 39232113) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-4-fluorobenzaldehyde.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-4-fluorobenzaldehyde
PubChem CID39232113
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name3-[4-(dimethylamino)phenyl]-4-fluorobenzaldehyde
SMILESCN(C)c1ccc(-c2cc(C=O)ccc2F)cc1
InChIInChI=1S/C15H14FNO/c1-17(2)13-6-4-12(5-7-13)14-9-11(10-18)3-8-15(14)16/h3-10H,1-2H3
InChIKeyJSHHIIADWKBOFA-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4'-Bis(dimethylamino)benzophenone
CID 7031
4-(Dimethylamino)Benzaldehyde
CID 7479
4-(Diethylamino)benzaldehyde
CID 67114
4-Dimethylaminochalcone
CID 5377268
1-benzyl-2,3-dihydro-1H-indole-5-carbaldehyde
CID 927567
4-(Dimethylamino)benzophenone
CID 10737
1-Methyl-1,2,3,4-tetrahydroquinoline-6-carbaldehyde
CID 2793014
4-Dimethylamino-4'-fluorochalcone
CID 5709047
4-(Piperidin-1-yl)benzaldehyde
CID 291354
4-(Dipropylamino)benzaldehyde
CID 69171
1,2-Bis(4-(dimethylamino)phenyl)ethane-1,2-dione
CID 222570
(E)-1-(4-dimethylaminophenyl)-3-phenylprop-2-en-1-one
CID 5356057

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-4-fluorobenzaldehyde?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-4-fluorobenzaldehyde (CID 39232113) is 3-[4-(dimethylamino)phenyl]-4-fluorobenzaldehyde.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-4-fluorobenzaldehyde?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-4-fluorobenzaldehyde is CN(C)c1ccc(-c2cc(C=O)ccc2F)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-4-fluorobenzaldehyde?
The InChIKey is JSHHIIADWKBOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c1-17(2)13-6-4-12(5-7-13)14-9-11(10-18)3-8-15(14)16/h3-10H,1-2H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-4-fluorobenzaldehyde?
3-[4-(dimethylamino)phenyl]-4-fluorobenzaldehyde has a molecular weight of 243.28 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-4-fluorobenzaldehyde is sourced from PubChem (CID 39232113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).