2-(2-fluorophenoxy)-6-methylaniline

C13H12FNO — CID 20513508

IUPAC2-(2-fluorophenoxy)-6-methylaniline
SMILESCc1cccc(Oc2ccccc2F)c1N
InChIInChI=1S/C13H12FNO/c1-9-5-4-8-12(13(9)15)16-11-7-3-2-6-10(11)14/h2-8H,15H2,1H3
InChIKeyWWTGLSSZIPVFTD-UHFFFAOYSA-N
MW217.24 g/mol
LogP3.51
Rot. Bonds2

About 2-(2-fluorophenoxy)-6-methylaniline

2-(2-fluorophenoxy)-6-methylaniline (PubChem CID 20513508) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-6-methylaniline.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-6-methylaniline
PubChem CID20513508
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name2-(2-fluorophenoxy)-6-methylaniline
SMILESCc1cccc(Oc2ccccc2F)c1N
InChIInChI=1S/C13H12FNO/c1-9-5-4-8-12(13(9)15)16-11-7-3-2-6-10(11)14/h2-8H,15H2,1H3
InChIKeyWWTGLSSZIPVFTD-UHFFFAOYSA-N
XLogP3.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 53.51
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

2-(2-fluorophenoxy)-6-methylphenol
CID 20513456
4-(2-amino-3-methylphenoxy)-3-fluorobenzonitrile
CID 43657243
1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene
CID 22338502
2-(2,5-dimethylphenoxy)-6-fluoroaniline
CID 54920394
5-chloro-4-(2-fluorophenoxy)-2-methylaniline
CID 153180265
2-(2-chlorophenoxy)-6-fluoroaniline
CID 60790440
4-(2-fluorophenoxy)-2-methylaniline
CID 26190288
4-(2-amino-3-methylphenoxy)-2-fluorobenzonitrile
CID 114041417
[2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine
CID 79516548
2-(2-fluoro-3-methylphenoxy)-6-propan-2-yloxyaniline
CID 107655528
2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline
CID 153401307
3-(2-fluorophenoxy)-2-nitroaniline
CID 80864284

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-6-methylaniline?
The IUPAC name of 2-(2-fluorophenoxy)-6-methylaniline (CID 20513508) is 2-(2-fluorophenoxy)-6-methylaniline.
What is the SMILES notation for 2-(2-fluorophenoxy)-6-methylaniline?
The canonical SMILES for 2-(2-fluorophenoxy)-6-methylaniline is Cc1cccc(Oc2ccccc2F)c1N.
What is the InChIKey of 2-(2-fluorophenoxy)-6-methylaniline?
The InChIKey is WWTGLSSZIPVFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO/c1-9-5-4-8-12(13(9)15)16-11-7-3-2-6-10(11)14/h2-8H,15H2,1H3.
What are the key properties of 2-(2-fluorophenoxy)-6-methylaniline?
2-(2-fluorophenoxy)-6-methylaniline has a molecular weight of 217.24 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-6-methylaniline is sourced from PubChem (CID 20513508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).