3-(fluoromethyl)-5-methoxyaniline

C8H10FNO — CID 90226418

IUPAC3-(fluoromethyl)-5-methoxyaniline
SMILESCOc1cc(N)cc(CF)c1
InChIInChI=1S/C8H10FNO/c1-11-8-3-6(5-9)2-7(10)4-8/h2-4H,5,10H2,1H3
InChIKeyMPWDBAXAPMZGTF-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.75
Rot. Bonds2

About 3-(fluoromethyl)-5-methoxyaniline

3-(fluoromethyl)-5-methoxyaniline (PubChem CID 90226418) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 3-(fluoromethyl)-5-methoxyaniline.

Molecular Properties

Compound Name3-(fluoromethyl)-5-methoxyaniline
PubChem CID90226418
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name3-(fluoromethyl)-5-methoxyaniline
SMILESCOc1cc(N)cc(CF)c1
InChIInChI=1S/C8H10FNO/c1-11-8-3-6(5-9)2-7(10)4-8/h2-4H,5,10H2,1H3
InChIKeyMPWDBAXAPMZGTF-UHFFFAOYSA-N
XLogP1.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butane;3-methoxy-5-(methoxymethyl)aniline
CID 67748962
3-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]aniline
CID 81150835
3-methoxy-5-[2-(2-methoxyethoxy)ethoxymethyl]aniline
CID 104560296
3-methoxy-5-(2-methylbutan-2-yloxymethyl)aniline
CID 81149908
3-methoxy-5-(2,2,3,3-tetrafluoropropoxymethyl)aniline
CID 81150413
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]-5-methoxyaniline
CID 81150809
3-(cyclopentyloxymethyl)-5-methoxyaniline
CID 81150187
3-methoxy-5-(1-methoxypropan-2-yloxymethyl)aniline
CID 81149767
3-methoxy-5-[[methyl(pentan-3-yl)amino]methyl]aniline
CID 81149781
3-[(dibutylamino)methyl]-5-methoxyaniline
CID 81149053
3-methoxy-5-(phenylsulfanylmethyl)aniline
CID 81150568
3-(3-amino-5-methoxyphenyl)-2-methylpropanoic acid
CID 84676800

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-5-methoxyaniline?
The IUPAC name of 3-(fluoromethyl)-5-methoxyaniline (CID 90226418) is 3-(fluoromethyl)-5-methoxyaniline.
What is the SMILES notation for 3-(fluoromethyl)-5-methoxyaniline?
The canonical SMILES for 3-(fluoromethyl)-5-methoxyaniline is COc1cc(N)cc(CF)c1.
What is the InChIKey of 3-(fluoromethyl)-5-methoxyaniline?
The InChIKey is MPWDBAXAPMZGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-11-8-3-6(5-9)2-7(10)4-8/h2-4H,5,10H2,1H3.
What are the key properties of 3-(fluoromethyl)-5-methoxyaniline?
3-(fluoromethyl)-5-methoxyaniline has a molecular weight of 155.17 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-5-methoxyaniline is sourced from PubChem (CID 90226418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).