5-chloro-4-(2-fluorophenoxy)-2-methylaniline

C13H11ClFNO — CID 153180265

IUPAC5-chloro-4-(2-fluorophenoxy)-2-methylaniline
SMILESCc1cc(Oc2ccccc2F)c(Cl)cc1N
InChIInChI=1S/C13H11ClFNO/c1-8-6-13(9(14)7-11(8)16)17-12-5-3-2-4-10(12)15/h2-7H,16H2,1H3
InChIKeyWGAIFDIDTWEKRM-UHFFFAOYSA-N
MW251.69 g/mol
LogP4.16
Rot. Bonds2

About 5-chloro-4-(2-fluorophenoxy)-2-methylaniline

5-chloro-4-(2-fluorophenoxy)-2-methylaniline (PubChem CID 153180265) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is 5-chloro-4-(2-fluorophenoxy)-2-methylaniline.

Molecular Properties

Compound Name5-chloro-4-(2-fluorophenoxy)-2-methylaniline
PubChem CID153180265
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name5-chloro-4-(2-fluorophenoxy)-2-methylaniline
SMILESCc1cc(Oc2ccccc2F)c(Cl)cc1N
InChIInChI=1S/C13H11ClFNO/c1-8-6-13(9(14)7-11(8)16)17-12-5-3-2-4-10(12)15/h2-7H,16H2,1H3
InChIKeyWGAIFDIDTWEKRM-UHFFFAOYSA-N
XLogP4.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 54.16
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

5-chloro-4-(2-chlorophenoxy)-2-methylaniline
CID 118588956
4-(2-fluorophenoxy)-2-methylaniline
CID 26190288
2-(2-fluorophenoxy)-6-methylaniline
CID 20513508
2-chloro-4-(2,3-difluorophenoxy)-5-methylaniline
CID 113334465
2-(2-chloro-5-methylphenoxy)aniline
CID 26189098
1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene
CID 22338502
5-chloro-2-(2,3-difluorophenoxy)-4-fluoroaniline
CID 66077323
4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980220
3-amino-4-(2-fluorophenoxy)phenol
CID 14722258
5-chloro-4-fluoro-2-(2-iodophenoxy)aniline
CID 66078879
4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene
CID 63565705
4-(4-amino-2,5-dichlorophenoxy)-2,5-dichloroaniline
CID 20555108

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-fluorophenoxy)-2-methylaniline?
The IUPAC name of 5-chloro-4-(2-fluorophenoxy)-2-methylaniline (CID 153180265) is 5-chloro-4-(2-fluorophenoxy)-2-methylaniline.
What is the SMILES notation for 5-chloro-4-(2-fluorophenoxy)-2-methylaniline?
The canonical SMILES for 5-chloro-4-(2-fluorophenoxy)-2-methylaniline is Cc1cc(Oc2ccccc2F)c(Cl)cc1N.
What is the InChIKey of 5-chloro-4-(2-fluorophenoxy)-2-methylaniline?
The InChIKey is WGAIFDIDTWEKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c1-8-6-13(9(14)7-11(8)16)17-12-5-3-2-4-10(12)15/h2-7H,16H2,1H3.
What are the key properties of 5-chloro-4-(2-fluorophenoxy)-2-methylaniline?
5-chloro-4-(2-fluorophenoxy)-2-methylaniline has a molecular weight of 251.69 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-fluorophenoxy)-2-methylaniline is sourced from PubChem (CID 153180265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).