5-(fluoromethyl)-2-methoxyaniline

C8H10FNO — CID 84650155

IUPAC5-(fluoromethyl)-2-methoxyaniline
SMILESCOc1ccc(CF)cc1N
InChIInChI=1S/C8H10FNO/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4H,5,10H2,1H3
InChIKeyXEAGYPKFNUVLOV-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.75
Rot. Bonds2

About 5-(fluoromethyl)-2-methoxyaniline

5-(fluoromethyl)-2-methoxyaniline (PubChem CID 84650155) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 5-(fluoromethyl)-2-methoxyaniline.

Molecular Properties

Compound Name5-(fluoromethyl)-2-methoxyaniline
PubChem CID84650155
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name5-(fluoromethyl)-2-methoxyaniline
SMILESCOc1ccc(CF)cc1N
InChIInChI=1S/C8H10FNO/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4H,5,10H2,1H3
InChIKeyXEAGYPKFNUVLOV-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

5-(diethylaminomethyl)-2-methoxyaniline
CID 29272603
5-[[N-[(3-amino-4-methoxyphenyl)methyl]-4-fluoroanilino]methyl]-2-methoxyaniline
CID 59540456
4-(fluoromethyl)-2-methoxyphenol
CID 84650348
2-methoxy-5-[2-(methylamino)propyl]aniline
CID 82257468
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
2-[(3-amino-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol
CID 54995973
5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methoxyaniline
CID 61415802
5-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyaniline
CID 43444217
2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline
CID 61225934
2-methoxy-5-(4,4,4-trifluorobutoxymethyl)aniline
CID 82788543
2-methoxy-5-[2-(1,3,5-triazin-2-yl)ethyl]aniline
CID 82474391
2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethanol
CID 82257349

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-2-methoxyaniline?
The IUPAC name of 5-(fluoromethyl)-2-methoxyaniline (CID 84650155) is 5-(fluoromethyl)-2-methoxyaniline.
What is the SMILES notation for 5-(fluoromethyl)-2-methoxyaniline?
The canonical SMILES for 5-(fluoromethyl)-2-methoxyaniline is COc1ccc(CF)cc1N.
What is the InChIKey of 5-(fluoromethyl)-2-methoxyaniline?
The InChIKey is XEAGYPKFNUVLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4H,5,10H2,1H3.
What are the key properties of 5-(fluoromethyl)-2-methoxyaniline?
5-(fluoromethyl)-2-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 5-(fluoromethyl)-2-methoxyaniline is sourced from PubChem (CID 84650155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).