4-(5-amino-2-fluorophenyl)-2,5-dimethylbenzaldehyde

C15H14FNO — CID 165456739

IUPAC4-(5-amino-2-fluorophenyl)-2,5-dimethylbenzaldehyde
SMILESCc1cc(-c2cc(N)ccc2F)c(C)cc1C=O
InChIInChI=1S/C15H14FNO/c1-9-6-13(10(2)5-11(9)8-18)14-7-12(17)3-4-15(14)16/h3-8H,17H2,1-2H3
InChIKeyOTQUNTKREFOGFA-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.50
Rot. Bonds2

About 4-(5-amino-2-fluorophenyl)-2,5-dimethylbenzaldehyde

4-(5-amino-2-fluorophenyl)-2,5-dimethylbenzaldehyde (PubChem CID 165456739) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 4-(5-amino-2-fluorophenyl)-2,5-dimethylbenzaldehyde.

Molecular Properties

Compound Name4-(5-amino-2-fluorophenyl)-2,5-dimethylbenzaldehyde
PubChem CID165456739
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name4-(5-amino-2-fluorophenyl)-2,5-dimethylbenzaldehyde
SMILESCc1cc(-c2cc(N)ccc2F)c(C)cc1C=O
InChIInChI=1S/C15H14FNO/c1-9-6-13(10(2)5-11(9)8-18)14-7-12(17)3-4-15(14)16/h3-8H,17H2,1-2H3
InChIKeyOTQUNTKREFOGFA-UHFFFAOYSA-N
XLogP3.50
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dimethylphenyl)-4-fluoroaniline
CID 104781174
4-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzaldehyde
CID 165451387
3-(2,5-difluorophenyl)-4-fluoroaniline
CID 104781179
2,5-dimethyl-4-pyridin-4-ylbenzaldehyde
CID 165456301
ethane;4-fluoro-3-methylaniline
CID 142250330
4-fluoro-3-methylaniline;molecular hydrogen
CID 145121372
4-fluoro-3-(4-methyl-2-pyridinyl)aniline
CID 22473541
3-(2,5-dimethylphenyl)-4-fluorobenzaldehyde
CID 61033101
4-(2,5-difluorophenyl)-3-methylbenzaldehyde
CID 81446927
4-amino-2-(2,5-difluorophenyl)benzoic acid
CID 176681877
3-(1,3-dimethylpyrazol-4-yl)-4-fluoroaniline
CID 104781282
2,5-dimethyl-4-pyridazin-3-ylbenzaldehyde
CID 165456747

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-fluorophenyl)-2,5-dimethylbenzaldehyde?
The IUPAC name of 4-(5-amino-2-fluorophenyl)-2,5-dimethylbenzaldehyde (CID 165456739) is 4-(5-amino-2-fluorophenyl)-2,5-dimethylbenzaldehyde.
What is the SMILES notation for 4-(5-amino-2-fluorophenyl)-2,5-dimethylbenzaldehyde?
The canonical SMILES for 4-(5-amino-2-fluorophenyl)-2,5-dimethylbenzaldehyde is Cc1cc(-c2cc(N)ccc2F)c(C)cc1C=O.
What is the InChIKey of 4-(5-amino-2-fluorophenyl)-2,5-dimethylbenzaldehyde?
The InChIKey is OTQUNTKREFOGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c1-9-6-13(10(2)5-11(9)8-18)14-7-12(17)3-4-15(14)16/h3-8H,17H2,1-2H3.
What are the key properties of 4-(5-amino-2-fluorophenyl)-2,5-dimethylbenzaldehyde?
4-(5-amino-2-fluorophenyl)-2,5-dimethylbenzaldehyde has a molecular weight of 243.28 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-fluorophenyl)-2,5-dimethylbenzaldehyde is sourced from PubChem (CID 165456739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).