2-(3-fluorophenoxy)-3-methylaniline

C13H12FNO — CID 115550847

IUPAC2-(3-fluorophenoxy)-3-methylaniline
SMILESCc1cccc(N)c1Oc1cccc(F)c1
InChIInChI=1S/C13H12FNO/c1-9-4-2-7-12(15)13(9)16-11-6-3-5-10(14)8-11/h2-8H,15H2,1H3
InChIKeyYEHYSOFEWPFOHL-UHFFFAOYSA-N
MW217.24 g/mol
LogP3.51
Rot. Bonds2

About 2-(3-fluorophenoxy)-3-methylaniline

2-(3-fluorophenoxy)-3-methylaniline (PubChem CID 115550847) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-3-methylaniline.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-3-methylaniline
PubChem CID115550847
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name2-(3-fluorophenoxy)-3-methylaniline
SMILESCc1cccc(N)c1Oc1cccc(F)c1
InChIInChI=1S/C13H12FNO/c1-9-4-2-7-12(15)13(9)16-11-6-3-5-10(14)8-11/h2-8H,15H2,1H3
InChIKeyYEHYSOFEWPFOHL-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-(3-iodophenoxy)-3-methylaniline
CID 115550908
2-(4-fluoro-2-methylphenoxy)-3-methylaniline
CID 68879061
2-(2,5-difluorophenoxy)-3-methylaniline
CID 115550961
[3-(2-amino-6-methylphenoxy)phenyl]methanol
CID 115550948
3,5-difluoro-4-(3-fluorophenoxy)aniline
CID 54902903
3-methyl-2-[4-(trifluoromethyl)phenoxy]aniline
CID 115550906
2-(3,5-difluorophenoxy)-3-fluoroaniline
CID 112740565
1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene
CID 54548242
2-(2,5-dimethylphenoxy)-3-methylaniline
CID 115550838
5-(3-fluorophenoxy)-2-methoxyaniline
CID 166073866
1,5-difluoro-2-(3-fluorophenoxy)-4-methylbenzene
CID 118973930
3-methyl-2-(4-propylphenoxy)aniline
CID 115550956

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-3-methylaniline?
The IUPAC name of 2-(3-fluorophenoxy)-3-methylaniline (CID 115550847) is 2-(3-fluorophenoxy)-3-methylaniline.
What is the SMILES notation for 2-(3-fluorophenoxy)-3-methylaniline?
The canonical SMILES for 2-(3-fluorophenoxy)-3-methylaniline is Cc1cccc(N)c1Oc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-3-methylaniline?
The InChIKey is YEHYSOFEWPFOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO/c1-9-4-2-7-12(15)13(9)16-11-6-3-5-10(14)8-11/h2-8H,15H2,1H3.
What are the key properties of 2-(3-fluorophenoxy)-3-methylaniline?
2-(3-fluorophenoxy)-3-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-(3-fluorophenoxy)-3-methylaniline is sourced from PubChem (CID 115550847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).