3-fluoro-2-methoxy-4-methylaniline

C8H10FNO — CID 105430237

IUPAC3-fluoro-2-methoxy-4-methylaniline
SMILESCOc1c(N)ccc(C)c1F
InChIInChI=1S/C8H10FNO/c1-5-3-4-6(10)8(11-2)7(5)9/h3-4H,10H2,1-2H3
InChIKeyOHDSBSJJEZIMSJ-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.72
Rot. Bonds1

About 3-fluoro-2-methoxy-4-methylaniline

3-fluoro-2-methoxy-4-methylaniline (PubChem CID 105430237) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 3-fluoro-2-methoxy-4-methylaniline.

Molecular Properties

Compound Name3-fluoro-2-methoxy-4-methylaniline
PubChem CID105430237
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name3-fluoro-2-methoxy-4-methylaniline
SMILESCOc1c(N)ccc(C)c1F
InChIInChI=1S/C8H10FNO/c1-5-3-4-6(10)8(11-2)7(5)9/h3-4H,10H2,1-2H3
InChIKeyOHDSBSJJEZIMSJ-UHFFFAOYSA-N
XLogP1.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.72
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 3-fluoro-2-methoxy-4-methylaniline?
The IUPAC name of 3-fluoro-2-methoxy-4-methylaniline (CID 105430237) is 3-fluoro-2-methoxy-4-methylaniline.
What is the SMILES notation for 3-fluoro-2-methoxy-4-methylaniline?
The canonical SMILES for 3-fluoro-2-methoxy-4-methylaniline is COc1c(N)ccc(C)c1F.
What is the InChIKey of 3-fluoro-2-methoxy-4-methylaniline?
The InChIKey is OHDSBSJJEZIMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-5-3-4-6(10)8(11-2)7(5)9/h3-4H,10H2,1-2H3.
What are the key properties of 3-fluoro-2-methoxy-4-methylaniline?
3-fluoro-2-methoxy-4-methylaniline has a molecular weight of 155.17 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methoxy-4-methylaniline is sourced from PubChem (CID 105430237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).