2-fluoro-4-methoxy-5-methylaniline

C8H10FNO — CID 89371124

IUPAC2-fluoro-4-methoxy-5-methylaniline
SMILESCOc1cc(F)c(N)cc1C
InChIInChI=1S/C8H10FNO/c1-5-3-7(10)6(9)4-8(5)11-2/h3-4H,10H2,1-2H3
InChIKeyIQGVUCUGIUDAAX-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.72
Rot. Bonds1

About 2-fluoro-4-methoxy-5-methylaniline

2-fluoro-4-methoxy-5-methylaniline (PubChem CID 89371124) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-5-methylaniline.

Molecular Properties

Compound Name2-fluoro-4-methoxy-5-methylaniline
PubChem CID89371124
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name2-fluoro-4-methoxy-5-methylaniline
SMILESCOc1cc(F)c(N)cc1C
InChIInChI=1S/C8H10FNO/c1-5-3-7(10)6(9)4-8(5)11-2/h3-4H,10H2,1-2H3
InChIKeyIQGVUCUGIUDAAX-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 2-fluoro-4-methoxy-5-methylaniline?
The IUPAC name of 2-fluoro-4-methoxy-5-methylaniline (CID 89371124) is 2-fluoro-4-methoxy-5-methylaniline.
What is the SMILES notation for 2-fluoro-4-methoxy-5-methylaniline?
The canonical SMILES for 2-fluoro-4-methoxy-5-methylaniline is COc1cc(F)c(N)cc1C.
What is the InChIKey of 2-fluoro-4-methoxy-5-methylaniline?
The InChIKey is IQGVUCUGIUDAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-5-3-7(10)6(9)4-8(5)11-2/h3-4H,10H2,1-2H3.
What are the key properties of 2-fluoro-4-methoxy-5-methylaniline?
2-fluoro-4-methoxy-5-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 2-fluoro-4-methoxy-5-methylaniline is sourced from PubChem (CID 89371124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).