2-(2-chloro-5-methylphenoxy)-5-fluoro-4-methoxyaniline

C14H13ClFNO2 — CID 63598602

IUPAC2-(2-chloro-5-methylphenoxy)-5-fluoro-4-methoxyaniline
SMILESCOc1cc(Oc2cc(C)ccc2Cl)c(N)cc1F
InChIInChI=1S/C14H13ClFNO2/c1-8-3-4-9(15)12(5-8)19-14-7-13(18-2)10(16)6-11(14)17/h3-7H,17H2,1-2H3
InChIKeyVTVLCUWCMSZYOY-UHFFFAOYSA-N
MW281.71 g/mol
LogP4.17
Rot. Bonds3

About 2-(2-chloro-5-methylphenoxy)-5-fluoro-4-methoxyaniline

2-(2-chloro-5-methylphenoxy)-5-fluoro-4-methoxyaniline (PubChem CID 63598602) has the molecular formula C14H13ClFNO2 and a molecular weight of 281.71 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-5-fluoro-4-methoxyaniline.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-5-fluoro-4-methoxyaniline
PubChem CID63598602
Molecular FormulaC14H13ClFNO2
Molecular Weight281.71 g/mol
Exact Mass281.06
IUPAC Name2-(2-chloro-5-methylphenoxy)-5-fluoro-4-methoxyaniline
SMILESCOc1cc(Oc2cc(C)ccc2Cl)c(N)cc1F
InChIInChI=1S/C14H13ClFNO2/c1-8-3-4-9(15)12(5-8)19-14-7-13(18-2)10(16)6-11(14)17/h3-7H,17H2,1-2H3
InChIKeyVTVLCUWCMSZYOY-UHFFFAOYSA-N
XLogP4.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 54.17
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

5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline
CID 55215693
2-(3,5-dichlorophenoxy)-5-fluoro-4-methoxyaniline
CID 63598612
2-(2-chloro-5-methylphenoxy)aniline
CID 26189098
2-(3,4-dimethylphenoxy)-5-fluoro-4-methoxyaniline
CID 63599666
2-(2-chloro-5-methylphenoxy)-5-iodoaniline
CID 66081953
4-ethoxy-5-fluoro-2-(2-fluoro-5-methylphenoxy)aniline
CID 64853412
5-fluoro-2-(4-iodophenoxy)-4-methoxyaniline
CID 63598441
5-fluoro-4-methoxy-2-[2-(trifluoromethyl)phenoxy]aniline
CID 63599659
2-(2,4-difluorophenoxy)-4-methylaniline
CID 10105468
2-(5-bromo-2,3-difluorophenoxy)-5-fluoro-4-methoxyaniline
CID 107097473
2-(4-chloro-3-fluorophenoxy)-5-methylaniline
CID 82716538
2-(2,4-dichlorophenoxy)-4-ethoxy-5-fluoroaniline
CID 63593248

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-5-fluoro-4-methoxyaniline?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-5-fluoro-4-methoxyaniline (CID 63598602) is 2-(2-chloro-5-methylphenoxy)-5-fluoro-4-methoxyaniline.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-5-fluoro-4-methoxyaniline?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-5-fluoro-4-methoxyaniline is COc1cc(Oc2cc(C)ccc2Cl)c(N)cc1F.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-5-fluoro-4-methoxyaniline?
The InChIKey is VTVLCUWCMSZYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2/c1-8-3-4-9(15)12(5-8)19-14-7-13(18-2)10(16)6-11(14)17/h3-7H,17H2,1-2H3.
What are the key properties of 2-(2-chloro-5-methylphenoxy)-5-fluoro-4-methoxyaniline?
2-(2-chloro-5-methylphenoxy)-5-fluoro-4-methoxyaniline has a molecular weight of 281.71 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-5-fluoro-4-methoxyaniline is sourced from PubChem (CID 63598602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).