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

C13H11ClFNO — CID 115555224

IUPAC2-chloro-4-(4-fluorophenoxy)-5-methylaniline
SMILESCc1cc(N)c(Cl)cc1Oc1ccc(F)cc1
InChIInChI=1S/C13H11ClFNO/c1-8-6-12(16)11(14)7-13(8)17-10-4-2-9(15)3-5-10/h2-7H,16H2,1H3
InChIKeyACTVZFSHHVKJCX-UHFFFAOYSA-N
MW251.69 g/mol
LogP4.16
Rot. Bonds2

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

2-chloro-4-(4-fluorophenoxy)-5-methylaniline (PubChem CID 115555224) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is 2-chloro-4-(4-fluorophenoxy)-5-methylaniline.

Molecular Properties

Compound Name2-chloro-4-(4-fluorophenoxy)-5-methylaniline
PubChem CID115555224
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name2-chloro-4-(4-fluorophenoxy)-5-methylaniline
SMILESCc1cc(N)c(Cl)cc1Oc1ccc(F)cc1
InChIInChI=1S/C13H11ClFNO/c1-8-6-12(16)11(14)7-13(8)17-10-4-2-9(15)3-5-10/h2-7H,16H2,1H3
InChIKeyACTVZFSHHVKJCX-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

2-chloro-5-methyl-4-[4-(trifluoromethyl)phenoxy]aniline
CID 115555282
4-(4-amino-5-chloro-2-methylphenoxy)benzonitrile
CID 113334432
2-chloro-5-(4-chlorophenoxy)-4-methylaniline;molecular nitrogen
CID 70504097
2-chloro-4-(2,3-difluorophenoxy)-5-methylaniline
CID 113334465
2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-5-methylaniline
CID 115555267
3-(4-fluorophenoxy)-4-methylaniline
CID 102167590
2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline
CID 115555326
2-(4-chloro-3-methylphenoxy)-5-fluoroaniline
CID 26189668
2-(4-fluorophenoxy)-4-methylaniline
CID 26189590
4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980220
3-(4-amino-5-chloro-2-methylphenoxy)benzonitrile
CID 113334441
2-chloro-5-methyl-4-(2-propan-2-ylphenoxy)aniline
CID 115555233

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-fluorophenoxy)-5-methylaniline?
The IUPAC name of 2-chloro-4-(4-fluorophenoxy)-5-methylaniline (CID 115555224) is 2-chloro-4-(4-fluorophenoxy)-5-methylaniline.
What is the SMILES notation for 2-chloro-4-(4-fluorophenoxy)-5-methylaniline?
The canonical SMILES for 2-chloro-4-(4-fluorophenoxy)-5-methylaniline is Cc1cc(N)c(Cl)cc1Oc1ccc(F)cc1.
What is the InChIKey of 2-chloro-4-(4-fluorophenoxy)-5-methylaniline?
The InChIKey is ACTVZFSHHVKJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c1-8-6-12(16)11(14)7-13(8)17-10-4-2-9(15)3-5-10/h2-7H,16H2,1H3.
What are the key properties of 2-chloro-4-(4-fluorophenoxy)-5-methylaniline?
2-chloro-4-(4-fluorophenoxy)-5-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 2-chloro-4-(4-fluorophenoxy)-5-methylaniline is sourced from PubChem (CID 115555224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).