4-fluoro-2-(4-methoxy-3,5-dimethylphenyl)aniline

C15H16FNO — CID 83068852

IUPAC4-fluoro-2-(4-methoxy-3,5-dimethylphenyl)aniline
SMILESCOc1c(C)cc(-c2cc(F)ccc2N)cc1C
InChIInChI=1S/C15H16FNO/c1-9-6-11(7-10(2)15(9)18-3)13-8-12(16)4-5-14(13)17/h4-8H,17H2,1-3H3
InChIKeyCFYABGSJZFNATC-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.70
Rot. Bonds2

About 4-fluoro-2-(4-methoxy-3,5-dimethylphenyl)aniline

4-fluoro-2-(4-methoxy-3,5-dimethylphenyl)aniline (PubChem CID 83068852) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-fluoro-2-(4-methoxy-3,5-dimethylphenyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-(4-methoxy-3,5-dimethylphenyl)aniline
PubChem CID83068852
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name4-fluoro-2-(4-methoxy-3,5-dimethylphenyl)aniline
SMILESCOc1c(C)cc(-c2cc(F)ccc2N)cc1C
InChIInChI=1S/C15H16FNO/c1-9-6-11(7-10(2)15(9)18-3)13-8-12(16)4-5-14(13)17/h4-8H,17H2,1-3H3
InChIKeyCFYABGSJZFNATC-UHFFFAOYSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-methoxy-3,5-dimethylphenyl)aniline?
The IUPAC name of 4-fluoro-2-(4-methoxy-3,5-dimethylphenyl)aniline (CID 83068852) is 4-fluoro-2-(4-methoxy-3,5-dimethylphenyl)aniline.
What is the SMILES notation for 4-fluoro-2-(4-methoxy-3,5-dimethylphenyl)aniline?
The canonical SMILES for 4-fluoro-2-(4-methoxy-3,5-dimethylphenyl)aniline is COc1c(C)cc(-c2cc(F)ccc2N)cc1C.
What is the InChIKey of 4-fluoro-2-(4-methoxy-3,5-dimethylphenyl)aniline?
The InChIKey is CFYABGSJZFNATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-9-6-11(7-10(2)15(9)18-3)13-8-12(16)4-5-14(13)17/h4-8H,17H2,1-3H3.
What are the key properties of 4-fluoro-2-(4-methoxy-3,5-dimethylphenyl)aniline?
4-fluoro-2-(4-methoxy-3,5-dimethylphenyl)aniline has a molecular weight of 245.30 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(4-methoxy-3,5-dimethylphenyl)aniline is sourced from PubChem (CID 83068852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).