3-fluoro-2,4-dimethoxy-5-methylaniline

C9H12FNO2 — CID 84769671

IUPAC3-fluoro-2,4-dimethoxy-5-methylaniline
SMILESCOc1c(C)cc(N)c(OC)c1F
InChIInChI=1S/C9H12FNO2/c1-5-4-6(11)9(13-3)7(10)8(5)12-2/h4H,11H2,1-3H3
InChIKeyKWOZGGDHJNRDIF-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.73
Rot. Bonds2

About 3-fluoro-2,4-dimethoxy-5-methylaniline

3-fluoro-2,4-dimethoxy-5-methylaniline (PubChem CID 84769671) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 3-fluoro-2,4-dimethoxy-5-methylaniline.

Molecular Properties

Compound Name3-fluoro-2,4-dimethoxy-5-methylaniline
PubChem CID84769671
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name3-fluoro-2,4-dimethoxy-5-methylaniline
SMILESCOc1c(C)cc(N)c(OC)c1F
InChIInChI=1S/C9H12FNO2/c1-5-4-6(11)9(13-3)7(10)8(5)12-2/h4H,11H2,1-3H3
InChIKeyKWOZGGDHJNRDIF-UHFFFAOYSA-N
XLogP1.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,4-dimethoxy-5-methylaniline?
The IUPAC name of 3-fluoro-2,4-dimethoxy-5-methylaniline (CID 84769671) is 3-fluoro-2,4-dimethoxy-5-methylaniline.
What is the SMILES notation for 3-fluoro-2,4-dimethoxy-5-methylaniline?
The canonical SMILES for 3-fluoro-2,4-dimethoxy-5-methylaniline is COc1c(C)cc(N)c(OC)c1F.
What is the InChIKey of 3-fluoro-2,4-dimethoxy-5-methylaniline?
The InChIKey is KWOZGGDHJNRDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-5-4-6(11)9(13-3)7(10)8(5)12-2/h4H,11H2,1-3H3.
What are the key properties of 3-fluoro-2,4-dimethoxy-5-methylaniline?
3-fluoro-2,4-dimethoxy-5-methylaniline has a molecular weight of 185.20 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,4-dimethoxy-5-methylaniline is sourced from PubChem (CID 84769671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).