3-[(2-chlorophenyl)methoxy]-5-fluoroaniline

C13H11ClFNO — CID 80752307

IUPAC3-[(2-chlorophenyl)methoxy]-5-fluoroaniline
SMILESNc1cc(F)cc(OCc2ccccc2Cl)c1
InChIInChI=1S/C13H11ClFNO/c14-13-4-2-1-3-9(13)8-17-12-6-10(15)5-11(16)7-12/h1-7H,8,16H2
InChIKeyPWWSXUDLZOZBRN-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.64
Rot. Bonds3

About 3-[(2-chlorophenyl)methoxy]-5-fluoroaniline

3-[(2-chlorophenyl)methoxy]-5-fluoroaniline (PubChem CID 80752307) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]-5-fluoroaniline.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]-5-fluoroaniline
PubChem CID80752307
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name3-[(2-chlorophenyl)methoxy]-5-fluoroaniline
SMILESNc1cc(F)cc(OCc2ccccc2Cl)c1
InChIInChI=1S/C13H11ClFNO/c14-13-4-2-1-3-9(13)8-17-12-6-10(15)5-11(16)7-12/h1-7H,8,16H2
InChIKeyPWWSXUDLZOZBRN-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.64
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

3-[(2-chlorophenyl)methoxy]aniline
CID 23010255
3-[(2-chlorophenyl)methoxymethyl]-5-fluoroaniline
CID 112646463
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
4-[3-[(2-chlorophenyl)methoxy]-5-fluorophenyl]but-3-yn-1-ol
CID 81314615
2-chloro-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene
CID 19168424
3-fluoro-5-(thiophen-2-ylmethoxy)aniline
CID 80751724
3-[(2-fluorophenyl)methoxy]-5-methylaniline
CID 112648486
3-N-[(2-chlorophenyl)methyl]-5-fluorobenzene-1,3-diamine
CID 60875169
4-[(2-chlorophenyl)methoxy]-2-ethoxyaniline
CID 63676329
2-bromo-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene
CID 107723647
1,2,4-tris[(2-chlorophenyl)methoxy]benzene
CID 139941968
2-[(3,5-difluorophenoxy)methyl]benzenecarbothioamide
CID 62783746

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]-5-fluoroaniline?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]-5-fluoroaniline (CID 80752307) is 3-[(2-chlorophenyl)methoxy]-5-fluoroaniline.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]-5-fluoroaniline?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]-5-fluoroaniline is Nc1cc(F)cc(OCc2ccccc2Cl)c1.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]-5-fluoroaniline?
The InChIKey is PWWSXUDLZOZBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c14-13-4-2-1-3-9(13)8-17-12-6-10(15)5-11(16)7-12/h1-7H,8,16H2.
What are the key properties of 3-[(2-chlorophenyl)methoxy]-5-fluoroaniline?
3-[(2-chlorophenyl)methoxy]-5-fluoroaniline has a molecular weight of 251.69 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxy]-5-fluoroaniline is sourced from PubChem (CID 80752307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).