2-(4-chloro-3-methylphenoxy)-4,6-difluoroaniline

C13H10ClF2NO — CID 113325400

IUPAC2-(4-chloro-3-methylphenoxy)-4,6-difluoroaniline
SMILESCc1cc(Oc2cc(F)cc(F)c2N)ccc1Cl
InChIInChI=1S/C13H10ClF2NO/c1-7-4-9(2-3-10(7)14)18-12-6-8(15)5-11(16)13(12)17/h2-6H,17H2,1H3
InChIKeyBIBLOWPVQHXGJR-UHFFFAOYSA-N
MW269.68 g/mol
LogP4.30
Rot. Bonds2

About 2-(4-chloro-3-methylphenoxy)-4,6-difluoroaniline

2-(4-chloro-3-methylphenoxy)-4,6-difluoroaniline (PubChem CID 113325400) has the molecular formula C13H10ClF2NO and a molecular weight of 269.68 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-4,6-difluoroaniline.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-4,6-difluoroaniline
PubChem CID113325400
Molecular FormulaC13H10ClF2NO
Molecular Weight269.68 g/mol
Exact Mass269.04
IUPAC Name2-(4-chloro-3-methylphenoxy)-4,6-difluoroaniline
SMILESCc1cc(Oc2cc(F)cc(F)c2N)ccc1Cl
InChIInChI=1S/C13H10ClF2NO/c1-7-4-9(2-3-10(7)14)18-12-6-8(15)5-11(16)13(12)17/h2-6H,17H2,1H3
InChIKeyBIBLOWPVQHXGJR-UHFFFAOYSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 54.30
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-(4-chloro-3-methylphenoxy)-5-fluoroaniline
CID 26189668
2,4-difluoro-6-(4-fluorophenoxy)aniline
CID 113325387
4-bromo-2-(4-chloro-3-methylphenoxy)-5-fluoroaniline
CID 116736446
2-amino-6-(4-chloro-3-methylphenoxy)-3-fluorobenzoic acid
CID 83214998
1-chloro-4-[3-(chloromethyl)-5-fluorophenoxy]-2-methylbenzene
CID 106530583
2-(4-chloro-3-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004510
4-(2,5-difluorophenoxy)-2-methylaniline
CID 63268652
4-(2,5-dichlorophenoxy)-2-methylaniline
CID 43436377
1-chloro-4-(2-methoxyphenoxy)-2-methylbenzene
CID 163498648
1-[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]butan-2-amine
CID 63815583
2,4-difluoro-6-(2-methoxyphenoxy)aniline
CID 115507261
2-chloro-4-(4-fluorophenoxy)-5-methylaniline
CID 115555224

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-4,6-difluoroaniline?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-4,6-difluoroaniline (CID 113325400) is 2-(4-chloro-3-methylphenoxy)-4,6-difluoroaniline.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-4,6-difluoroaniline?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-4,6-difluoroaniline is Cc1cc(Oc2cc(F)cc(F)c2N)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-4,6-difluoroaniline?
The InChIKey is BIBLOWPVQHXGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO/c1-7-4-9(2-3-10(7)14)18-12-6-8(15)5-11(16)13(12)17/h2-6H,17H2,1H3.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-4,6-difluoroaniline?
2-(4-chloro-3-methylphenoxy)-4,6-difluoroaniline has a molecular weight of 269.68 g/mol, XLogP of 4.30, 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-methylphenoxy)-4,6-difluoroaniline is sourced from PubChem (CID 113325400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).