2-(3-chloro-2-fluorophenoxy)-6-methoxyaniline

C13H11ClFNO2 — CID 116688655

IUPAC2-(3-chloro-2-fluorophenoxy)-6-methoxyaniline
SMILESCOc1cccc(Oc2cccc(Cl)c2F)c1N
InChIInChI=1S/C13H11ClFNO2/c1-17-10-6-3-7-11(13(10)16)18-9-5-2-4-8(14)12(9)15/h2-7H,16H2,1H3
InChIKeyABECICILWCVPOI-UHFFFAOYSA-N
MW267.69 g/mol
LogP3.86
Rot. Bonds3

About 2-(3-chloro-2-fluorophenoxy)-6-methoxyaniline

2-(3-chloro-2-fluorophenoxy)-6-methoxyaniline (PubChem CID 116688655) has the molecular formula C13H11ClFNO2 and a molecular weight of 267.69 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenoxy)-6-methoxyaniline.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenoxy)-6-methoxyaniline
PubChem CID116688655
Molecular FormulaC13H11ClFNO2
Molecular Weight267.69 g/mol
Exact Mass267.05
IUPAC Name2-(3-chloro-2-fluorophenoxy)-6-methoxyaniline
SMILESCOc1cccc(Oc2cccc(Cl)c2F)c1N
InChIInChI=1S/C13H11ClFNO2/c1-17-10-6-3-7-11(13(10)16)18-9-5-2-4-8(14)12(9)15/h2-7H,16H2,1H3
InChIKeyABECICILWCVPOI-UHFFFAOYSA-N
XLogP3.86
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
1-chloro-2-fluoro-3-methoxybenzene;methane
CID 142301090
2,6-dimethoxyaniline;ethane
CID 145233133
(1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 104892670
2-(2-chlorophenoxy)-6-fluoroaniline
CID 60790440
methyl 5-amino-2-(3-chloro-2-fluorophenoxy)benzoate
CID 116689744
5-bromo-2-(3-chloro-2-fluorophenoxy)aniline
CID 116688643
4-(3-chloro-2-fluorophenoxy)-3-(difluoromethyl)aniline
CID 116688566
(3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808026
6-(3-chloro-2-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 116691260
4-amino-2-(3-chloro-2-fluorophenoxy)benzamide
CID 116688642
(1R)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanamine
CID 104892667

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenoxy)-6-methoxyaniline?
The IUPAC name of 2-(3-chloro-2-fluorophenoxy)-6-methoxyaniline (CID 116688655) is 2-(3-chloro-2-fluorophenoxy)-6-methoxyaniline.
What is the SMILES notation for 2-(3-chloro-2-fluorophenoxy)-6-methoxyaniline?
The canonical SMILES for 2-(3-chloro-2-fluorophenoxy)-6-methoxyaniline is COc1cccc(Oc2cccc(Cl)c2F)c1N.
What is the InChIKey of 2-(3-chloro-2-fluorophenoxy)-6-methoxyaniline?
The InChIKey is ABECICILWCVPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO2/c1-17-10-6-3-7-11(13(10)16)18-9-5-2-4-8(14)12(9)15/h2-7H,16H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenoxy)-6-methoxyaniline?
2-(3-chloro-2-fluorophenoxy)-6-methoxyaniline has a molecular weight of 267.69 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenoxy)-6-methoxyaniline is sourced from PubChem (CID 116688655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).