2-(4-chloro-2,6-dimethylphenoxy)-5-fluoroaniline

C14H13ClFNO — CID 29267030

IUPAC2-(4-chloro-2,6-dimethylphenoxy)-5-fluoroaniline
SMILESCc1cc(Cl)cc(C)c1Oc1ccc(F)cc1N
InChIInChI=1S/C14H13ClFNO/c1-8-5-10(15)6-9(2)14(8)18-13-4-3-11(16)7-12(13)17/h3-7H,17H2,1-2H3
InChIKeySRWUQSKXECNMAP-UHFFFAOYSA-N
MW265.72 g/mol
LogP4.47
Rot. Bonds2

About 2-(4-chloro-2,6-dimethylphenoxy)-5-fluoroaniline

2-(4-chloro-2,6-dimethylphenoxy)-5-fluoroaniline (PubChem CID 29267030) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-(4-chloro-2,6-dimethylphenoxy)-5-fluoroaniline.

Molecular Properties

Compound Name2-(4-chloro-2,6-dimethylphenoxy)-5-fluoroaniline
PubChem CID29267030
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name2-(4-chloro-2,6-dimethylphenoxy)-5-fluoroaniline
SMILESCc1cc(Cl)cc(C)c1Oc1ccc(F)cc1N
InChIInChI=1S/C14H13ClFNO/c1-8-5-10(15)6-9(2)14(8)18-13-4-3-11(16)7-12(13)17/h3-7H,17H2,1-2H3
InChIKeySRWUQSKXECNMAP-UHFFFAOYSA-N
XLogP4.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-5-fluoroaniline?
The IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-5-fluoroaniline (CID 29267030) is 2-(4-chloro-2,6-dimethylphenoxy)-5-fluoroaniline.
What is the SMILES notation for 2-(4-chloro-2,6-dimethylphenoxy)-5-fluoroaniline?
The canonical SMILES for 2-(4-chloro-2,6-dimethylphenoxy)-5-fluoroaniline is Cc1cc(Cl)cc(C)c1Oc1ccc(F)cc1N.
What is the InChIKey of 2-(4-chloro-2,6-dimethylphenoxy)-5-fluoroaniline?
The InChIKey is SRWUQSKXECNMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-8-5-10(15)6-9(2)14(8)18-13-4-3-11(16)7-12(13)17/h3-7H,17H2,1-2H3.
What are the key properties of 2-(4-chloro-2,6-dimethylphenoxy)-5-fluoroaniline?
2-(4-chloro-2,6-dimethylphenoxy)-5-fluoroaniline has a molecular weight of 265.72 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,6-dimethylphenoxy)-5-fluoroaniline is sourced from PubChem (CID 29267030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).