3-fluoro-4-(methylaminomethoxy)aniline

C8H11FN2O — CID 59156754

IUPAC3-fluoro-4-(methylaminomethoxy)aniline
SMILESCNCOc1ccc(N)cc1F
InChIInChI=1S/C8H11FN2O/c1-11-5-12-8-3-2-6(10)4-7(8)9/h2-4,11H,5,10H2,1H3
InChIKeyRPACCPPZMNWTNF-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.96
Rot. Bonds3

About 3-fluoro-4-(methylaminomethoxy)aniline

3-fluoro-4-(methylaminomethoxy)aniline (PubChem CID 59156754) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 3-fluoro-4-(methylaminomethoxy)aniline.

Molecular Properties

Compound Name3-fluoro-4-(methylaminomethoxy)aniline
PubChem CID59156754
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name3-fluoro-4-(methylaminomethoxy)aniline
SMILESCNCOc1ccc(N)cc1F
InChIInChI=1S/C8H11FN2O/c1-11-5-12-8-3-2-6(10)4-7(8)9/h2-4,11H,5,10H2,1H3
InChIKeyRPACCPPZMNWTNF-UHFFFAOYSA-N
XLogP0.96
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline
CID 114929926
4-dodecoxy-3-fluoroaniline
CID 63404209
3-(4-amino-2-fluorophenoxy)-2,2-dimethylpropanoic acid
CID 79623200
3-fluoro-4-(naphthalen-1-ylmethoxy)aniline
CID 26190143
3-[(4-ethoxy-3-fluorophenyl)methyl]aniline
CID 116925771
methyl 4-[(4-amino-2-fluorophenoxy)methyl]benzoate
CID 43259245
3-fluoro-4-(3-phenylpropoxy)aniline
CID 26190137
4-(4-amino-2-fluorophenoxy)-N-methylpyridin-2-amine
CID 67252307
3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]aniline
CID 103132575
3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]aniline
CID 50896803
4-[(4-bromo-2-fluorophenyl)methoxy]-3-fluoroaniline
CID 43381966
4-(4-aminophenoxy)-3-fluoroaniline
CID 66486728

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(methylaminomethoxy)aniline?
The IUPAC name of 3-fluoro-4-(methylaminomethoxy)aniline (CID 59156754) is 3-fluoro-4-(methylaminomethoxy)aniline.
What is the SMILES notation for 3-fluoro-4-(methylaminomethoxy)aniline?
The canonical SMILES for 3-fluoro-4-(methylaminomethoxy)aniline is CNCOc1ccc(N)cc1F.
What is the InChIKey of 3-fluoro-4-(methylaminomethoxy)aniline?
The InChIKey is RPACCPPZMNWTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-11-5-12-8-3-2-6(10)4-7(8)9/h2-4,11H,5,10H2,1H3.
What are the key properties of 3-fluoro-4-(methylaminomethoxy)aniline?
3-fluoro-4-(methylaminomethoxy)aniline has a molecular weight of 170.19 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(methylaminomethoxy)aniline is sourced from PubChem (CID 59156754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).