5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline

C14H14FNO2 — CID 55215693

IUPAC5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline
SMILESCOc1cc(Oc2ccc(C)cc2)c(N)cc1F
InChIInChI=1S/C14H14FNO2/c1-9-3-5-10(6-4-9)18-14-8-13(17-2)11(15)7-12(14)16/h3-8H,16H2,1-2H3
InChIKeyUDJZQXSZELPLRM-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.52
Rot. Bonds3

About 5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline

5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline (PubChem CID 55215693) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline.

Molecular Properties

Compound Name5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline
PubChem CID55215693
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline
SMILESCOc1cc(Oc2ccc(C)cc2)c(N)cc1F
InChIInChI=1S/C14H14FNO2/c1-9-3-5-10(6-4-9)18-14-8-13(17-2)11(15)7-12(14)16/h3-8H,16H2,1-2H3
InChIKeyUDJZQXSZELPLRM-UHFFFAOYSA-N
XLogP3.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethylphenoxy)-5-fluoro-4-methoxyaniline
CID 63599666
5-fluoro-2-(4-iodophenoxy)-4-methoxyaniline
CID 63598441
2-(2-chloro-5-methylphenoxy)-5-fluoro-4-methoxyaniline
CID 63598602
2-(3,5-dichlorophenoxy)-5-fluoro-4-methoxyaniline
CID 63598612
2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluoro-4-methoxyaniline
CID 63599997
2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline
CID 63599508
4-(3,5-difluorophenoxy)-5-fluoro-2-methoxyaniline
CID 107259895
5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)oxyaniline
CID 116792446
2-(4-fluorophenoxy)-4-methylaniline
CID 26189590
2,5-difluoro-4-methoxyaniline
CID 45090681
4,5-dimethoxy-2-phenoxyaniline
CID 83008509
2-(4-methylphenoxy)benzene-1,4-diamine
CID 163806910

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline?
The IUPAC name of 5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline (CID 55215693) is 5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline.
What is the SMILES notation for 5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline?
The canonical SMILES for 5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline is COc1cc(Oc2ccc(C)cc2)c(N)cc1F.
What is the InChIKey of 5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline?
The InChIKey is UDJZQXSZELPLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-9-3-5-10(6-4-9)18-14-8-13(17-2)11(15)7-12(14)16/h3-8H,16H2,1-2H3.
What are the key properties of 5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline?
5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline has a molecular weight of 247.27 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline is sourced from PubChem (CID 55215693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).