3-(4-fluorophenoxy)-4-methylaniline

C13H12FNO — CID 102167590

IUPAC3-(4-fluorophenoxy)-4-methylaniline
SMILESCc1ccc(N)cc1Oc1ccc(F)cc1
InChIInChI=1S/C13H12FNO/c1-9-2-5-11(15)8-13(9)16-12-6-3-10(14)4-7-12/h2-8H,15H2,1H3
InChIKeyGKIOLMJBYZKEQD-UHFFFAOYSA-N
MW217.24 g/mol
LogP3.51
Rot. Bonds2

About 3-(4-fluorophenoxy)-4-methylaniline

3-(4-fluorophenoxy)-4-methylaniline (PubChem CID 102167590) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-4-methylaniline.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-4-methylaniline
PubChem CID102167590
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name3-(4-fluorophenoxy)-4-methylaniline
SMILESCc1ccc(N)cc1Oc1ccc(F)cc1
InChIInChI=1S/C13H12FNO/c1-9-2-5-11(15)8-13(9)16-12-6-3-10(14)4-7-12/h2-8H,15H2,1H3
InChIKeyGKIOLMJBYZKEQD-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-methyl-3-(4-propan-2-ylphenoxy)aniline
CID 155433623
4-(4-fluorophenoxy)-3-iodoaniline
CID 66092753
4-(4-fluorophenoxy)-3,5-dimethylaniline
CID 91671802
4-[3-(2,4-diaminophenoxy)-4-methylphenoxy]benzene-1,3-diamine
CID 141165190
3-[4-[2-[3-[2-[4-(5-amino-2-methylphenoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]-4-methylaniline
CID 139685602
2-chloro-4-(4-fluorophenoxy)-5-methylaniline
CID 115555224
4-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenoxy)aniline
CID 139337332
2-(4-fluorophenoxy)-4-methylaniline
CID 26189590
ethane;methane;3-methoxy-4-methylaniline
CID 144516222
2-(4-methylphenoxy)benzene-1,4-diamine
CID 163806910
5-(5-amino-2-methylphenoxy)pyridine-2-carbonitrile
CID 113321409
3-ethoxy-5-(5-fluoro-2-methylphenoxy)aniline
CID 102980299

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-4-methylaniline?
The IUPAC name of 3-(4-fluorophenoxy)-4-methylaniline (CID 102167590) is 3-(4-fluorophenoxy)-4-methylaniline.
What is the SMILES notation for 3-(4-fluorophenoxy)-4-methylaniline?
The canonical SMILES for 3-(4-fluorophenoxy)-4-methylaniline is Cc1ccc(N)cc1Oc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)-4-methylaniline?
The InChIKey is GKIOLMJBYZKEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO/c1-9-2-5-11(15)8-13(9)16-12-6-3-10(14)4-7-12/h2-8H,15H2,1H3.
What are the key properties of 3-(4-fluorophenoxy)-4-methylaniline?
3-(4-fluorophenoxy)-4-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 3-(4-fluorophenoxy)-4-methylaniline is sourced from PubChem (CID 102167590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).