4-(2-fluorophenoxy)-2-methylaniline

C13H12FNO — CID 26190288

IUPAC4-(2-fluorophenoxy)-2-methylaniline
SMILESCc1cc(Oc2ccccc2F)ccc1N
InChIInChI=1S/C13H12FNO/c1-9-8-10(6-7-12(9)15)16-13-5-3-2-4-11(13)14/h2-8H,15H2,1H3
InChIKeyGFGWIIFHXQFNOT-UHFFFAOYSA-N
MW217.24 g/mol
LogP3.51
Rot. Bonds2

About 4-(2-fluorophenoxy)-2-methylaniline

4-(2-fluorophenoxy)-2-methylaniline (PubChem CID 26190288) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-2-methylaniline.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-2-methylaniline
PubChem CID26190288
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name4-(2-fluorophenoxy)-2-methylaniline
SMILESCc1cc(Oc2ccccc2F)ccc1N
InChIInChI=1S/C13H12FNO/c1-9-8-10(6-7-12(9)15)16-13-5-3-2-4-11(13)14/h2-8H,15H2,1H3
InChIKeyGFGWIIFHXQFNOT-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

4-(2,5-difluorophenoxy)-2-methylaniline
CID 63268652
2-bromo-4-(2-fluorophenoxy)aniline
CID 138707019
4-(4-bromo-2-fluorophenoxy)-2-methylaniline
CID 43436412
1-[2-amino-5-(2-fluorophenoxy)phenyl]ethanone
CID 113433083
2-amino-5-(2-fluorophenoxy)benzonitrile
CID 115499740
5-chloro-4-(2-fluorophenoxy)-2-methylaniline
CID 153180265
N-[4-(2-fluorophenoxy)-2-methylphenyl]methanimine oxide
CID 118155996
1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338576
4-(2,5-dichlorophenoxy)-2-methylaniline
CID 43436377
4-(2,3-difluorophenoxy)benzene-1,2-diamine
CID 106748465
2-fluoro-4-(2-fluorophenoxy)phenol
CID 165357625
2-(2-fluorophenoxy)-6-methylaniline
CID 20513508

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-2-methylaniline?
The IUPAC name of 4-(2-fluorophenoxy)-2-methylaniline (CID 26190288) is 4-(2-fluorophenoxy)-2-methylaniline.
What is the SMILES notation for 4-(2-fluorophenoxy)-2-methylaniline?
The canonical SMILES for 4-(2-fluorophenoxy)-2-methylaniline is Cc1cc(Oc2ccccc2F)ccc1N.
What is the InChIKey of 4-(2-fluorophenoxy)-2-methylaniline?
The InChIKey is GFGWIIFHXQFNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO/c1-9-8-10(6-7-12(9)15)16-13-5-3-2-4-11(13)14/h2-8H,15H2,1H3.
What are the key properties of 4-(2-fluorophenoxy)-2-methylaniline?
4-(2-fluorophenoxy)-2-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 4-(2-fluorophenoxy)-2-methylaniline is sourced from PubChem (CID 26190288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).