2-(4-chloro-3-fluorophenoxy)-5-methylaniline

C13H11ClFNO — CID 82716538

IUPAC2-(4-chloro-3-fluorophenoxy)-5-methylaniline
SMILESCc1ccc(Oc2ccc(Cl)c(F)c2)c(N)c1
InChIInChI=1S/C13H11ClFNO/c1-8-2-5-13(12(16)6-8)17-9-3-4-10(14)11(15)7-9/h2-7H,16H2,1H3
InChIKeyAZPOCKFQTDFUOF-UHFFFAOYSA-N
MW251.69 g/mol
LogP4.16
Rot. Bonds2

About 2-(4-chloro-3-fluorophenoxy)-5-methylaniline

2-(4-chloro-3-fluorophenoxy)-5-methylaniline (PubChem CID 82716538) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-5-methylaniline.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-5-methylaniline
PubChem CID82716538
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name2-(4-chloro-3-fluorophenoxy)-5-methylaniline
SMILESCc1ccc(Oc2ccc(Cl)c(F)c2)c(N)c1
InChIInChI=1S/C13H11ClFNO/c1-8-2-5-13(12(16)6-8)17-9-3-4-10(14)11(15)7-9/h2-7H,16H2,1H3
InChIKeyAZPOCKFQTDFUOF-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-(3-bromo-4-fluorophenoxy)-5-methylaniline
CID 83231708
methyl 3-amino-4-(4-chloro-3-fluorophenoxy)benzoate
CID 82716912
2-(4-chloro-3-methylphenoxy)-5-fluoroaniline
CID 26189668
5-chloro-4-fluoro-2-(3-methylphenoxy)aniline
CID 66077893
1-chloro-2-fluoro-4-(3-methylphenoxy)benzene
CID 91481927
5-methyl-2-naphthalen-2-yloxyaniline
CID 26189514
4-(4-chloro-3-fluorophenoxy)-2,1,3-benzoxadiazol-7-amine
CID 82717264
2-(4-chloro-3-fluorophenoxy)-6-methylpyridin-3-amine
CID 82716853
2-(2,5-difluorophenoxy)-5-methylaniline
CID 63269185
5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 43349562
2-(4-bromo-3-fluorophenoxy)-4-chloro-5-fluoroaniline
CID 114089163
4-bromo-2-(4-chloro-3-methylphenoxy)-5-fluoroaniline
CID 116736446

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-5-methylaniline?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-5-methylaniline (CID 82716538) is 2-(4-chloro-3-fluorophenoxy)-5-methylaniline.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-5-methylaniline?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-5-methylaniline is Cc1ccc(Oc2ccc(Cl)c(F)c2)c(N)c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-5-methylaniline?
The InChIKey is AZPOCKFQTDFUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c1-8-2-5-13(12(16)6-8)17-9-3-4-10(14)11(15)7-9/h2-7H,16H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-5-methylaniline?
2-(4-chloro-3-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-(4-chloro-3-fluorophenoxy)-5-methylaniline is sourced from PubChem (CID 82716538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).