2-[(4-chlorophenyl)methoxy]-3,4-difluoroaniline

C13H10ClF2NO — CID 65126930

IUPAC2-[(4-chlorophenyl)methoxy]-3,4-difluoroaniline
SMILESNc1ccc(F)c(F)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C13H10ClF2NO/c14-9-3-1-8(2-4-9)7-18-13-11(17)6-5-10(15)12(13)16/h1-6H,7,17H2
InChIKeyNIZUEQYNCAKQTE-UHFFFAOYSA-N
MW269.68 g/mol
LogP3.78
Rot. Bonds3

About 2-[(4-chlorophenyl)methoxy]-3,4-difluoroaniline

2-[(4-chlorophenyl)methoxy]-3,4-difluoroaniline (PubChem CID 65126930) has the molecular formula C13H10ClF2NO and a molecular weight of 269.68 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-3,4-difluoroaniline.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-3,4-difluoroaniline
PubChem CID65126930
Molecular FormulaC13H10ClF2NO
Molecular Weight269.68 g/mol
Exact Mass269.04
IUPAC Name2-[(4-chlorophenyl)methoxy]-3,4-difluoroaniline
SMILESNc1ccc(F)c(F)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C13H10ClF2NO/c14-9-3-1-8(2-4-9)7-18-13-11(17)6-5-10(15)12(13)16/h1-6H,7,17H2
InChIKeyNIZUEQYNCAKQTE-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 53.78
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

3,4-difluoro-2-phenylmethoxyaniline
CID 62532181
3,4-dichloro-2-[(4-chlorophenyl)methoxy]aniline
CID 135358463
2-[2-(6-amino-2,3-difluorophenoxy)ethoxy]-3,4-difluoroaniline
CID 10358364
3,4-difluoro-2-[(2-fluorophenyl)methoxy]aniline
CID 63933644
2-ethoxy-3,4-difluoroaniline
CID 22118017
1,2,4,5-tetrafluoro-3-[(4-fluorophenyl)methoxy]benzene
CID 112769771
5-chloro-2-[(4-chlorophenyl)methoxy]-4-fluoroaniline
CID 66076942
3,4-difluoro-2-[(2-methoxyphenyl)methoxy]aniline
CID 117095722
2-[(3-chlorophenyl)methoxy]-3-fluoroaniline
CID 104831215
3-chloro-2-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878154
3-[(4-fluorophenyl)methoxy]-2,4-dimethylaniline
CID 62018326
5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene
CID 79888109

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-3,4-difluoroaniline?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-3,4-difluoroaniline (CID 65126930) is 2-[(4-chlorophenyl)methoxy]-3,4-difluoroaniline.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-3,4-difluoroaniline?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-3,4-difluoroaniline is Nc1ccc(F)c(F)c1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-3,4-difluoroaniline?
The InChIKey is NIZUEQYNCAKQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO/c14-9-3-1-8(2-4-9)7-18-13-11(17)6-5-10(15)12(13)16/h1-6H,7,17H2.
What are the key properties of 2-[(4-chlorophenyl)methoxy]-3,4-difluoroaniline?
2-[(4-chlorophenyl)methoxy]-3,4-difluoroaniline has a molecular weight of 269.68 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-3,4-difluoroaniline is sourced from PubChem (CID 65126930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).