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

C13H10Cl2FNO — CID 112740963

IUPAC4-chloro-2-(2-chloro-5-fluorophenoxy)-3-methylaniline
SMILESCc1c(Cl)ccc(N)c1Oc1cc(F)ccc1Cl
InChIInChI=1S/C13H10Cl2FNO/c1-7-9(14)4-5-11(17)13(7)18-12-6-8(16)2-3-10(12)15/h2-6H,17H2,1H3
InChIKeyRVLOPVXRKFOFDM-UHFFFAOYSA-N
MW286.13 g/mol
LogP4.82
Rot. Bonds2

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

4-chloro-2-(2-chloro-5-fluorophenoxy)-3-methylaniline (PubChem CID 112740963) has the molecular formula C13H10Cl2FNO and a molecular weight of 286.13 g/mol. Its IUPAC name is 4-chloro-2-(2-chloro-5-fluorophenoxy)-3-methylaniline.

Molecular Properties

Compound Name4-chloro-2-(2-chloro-5-fluorophenoxy)-3-methylaniline
PubChem CID112740963
Molecular FormulaC13H10Cl2FNO
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name4-chloro-2-(2-chloro-5-fluorophenoxy)-3-methylaniline
SMILESCc1c(Cl)ccc(N)c1Oc1cc(F)ccc1Cl
InChIInChI=1S/C13H10Cl2FNO/c1-7-9(14)4-5-11(17)13(7)18-12-6-8(16)2-3-10(12)15/h2-6H,17H2,1H3
InChIKeyRVLOPVXRKFOFDM-UHFFFAOYSA-N
XLogP4.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 54.82
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

4-chloro-2-(3,4-difluorophenoxy)-3-methylaniline
CID 112740952
4-chloro-3-methyl-2-(4-methylphenoxy)aniline
CID 112740948
4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980220
4-amino-3-(2-chloro-5-fluorophenoxy)benzoic acid
CID 114264294
5-(2-chloro-5-fluorophenoxy)-1,3-dimethylpyrazol-4-amine
CID 114264208
CID 69055429
CID 69055429
6-bromo-2-(2-chloro-5-fluorophenoxy)-N,3-dimethylaniline
CID 170702594
2-(2,6-dimethoxyphenoxy)-4-fluoroaniline
CID 62376643
2-(2,5-difluorophenoxy)-3-methylaniline
CID 115550961
2-(4-bromo-2-chloro-5-fluorophenoxy)-4-fluoroaniline
CID 114270895
2-(4-chloro-3-methylphenoxy)-5-fluoroaniline
CID 26189668
2-chloro-4-(4-fluorophenoxy)-5-methylaniline
CID 115555224

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chloro-5-fluorophenoxy)-3-methylaniline?
The IUPAC name of 4-chloro-2-(2-chloro-5-fluorophenoxy)-3-methylaniline (CID 112740963) is 4-chloro-2-(2-chloro-5-fluorophenoxy)-3-methylaniline.
What is the SMILES notation for 4-chloro-2-(2-chloro-5-fluorophenoxy)-3-methylaniline?
The canonical SMILES for 4-chloro-2-(2-chloro-5-fluorophenoxy)-3-methylaniline is Cc1c(Cl)ccc(N)c1Oc1cc(F)ccc1Cl.
What is the InChIKey of 4-chloro-2-(2-chloro-5-fluorophenoxy)-3-methylaniline?
The InChIKey is RVLOPVXRKFOFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO/c1-7-9(14)4-5-11(17)13(7)18-12-6-8(16)2-3-10(12)15/h2-6H,17H2,1H3.
What are the key properties of 4-chloro-2-(2-chloro-5-fluorophenoxy)-3-methylaniline?
4-chloro-2-(2-chloro-5-fluorophenoxy)-3-methylaniline has a molecular weight of 286.13 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-chloro-5-fluorophenoxy)-3-methylaniline is sourced from PubChem (CID 112740963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).