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

C13H10ClF2NO — CID 62670079

IUPAC2-(2-chloro-4-methylphenoxy)-3,4-difluoroaniline
SMILESCc1ccc(Oc2c(N)ccc(F)c2F)c(Cl)c1
InChIInChI=1S/C13H10ClF2NO/c1-7-2-5-11(8(14)6-7)18-13-10(17)4-3-9(15)12(13)16/h2-6H,17H2,1H3
InChIKeyHDQGDDGPGDJOPP-UHFFFAOYSA-N
MW269.68 g/mol
LogP4.30
Rot. Bonds2

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

2-(2-chloro-4-methylphenoxy)-3,4-difluoroaniline (PubChem CID 62670079) has the molecular formula C13H10ClF2NO and a molecular weight of 269.68 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenoxy)-3,4-difluoroaniline.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenoxy)-3,4-difluoroaniline
PubChem CID62670079
Molecular FormulaC13H10ClF2NO
Molecular Weight269.68 g/mol
Exact Mass269.04
IUPAC Name2-(2-chloro-4-methylphenoxy)-3,4-difluoroaniline
SMILESCc1ccc(Oc2c(N)ccc(F)c2F)c(Cl)c1
InChIInChI=1S/C13H10ClF2NO/c1-7-2-5-11(8(14)6-7)18-13-10(17)4-3-9(15)12(13)16/h2-6H,17H2,1H3
InChIKeyHDQGDDGPGDJOPP-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-(2-chlorophenoxy)-3,4-difluoroaniline
CID 62533366
2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline
CID 115555326
4-(2-chloro-4-methylphenoxy)-3,5-difluorobenzenecarbothioamide
CID 81285477
4-(2-bromo-4-methylphenoxy)-6-chloro-5-fluorobenzene-1,3-diamine
CID 103553690
4-(2-chloro-4-methylphenoxy)-5-fluoropyrimidin-2-amine
CID 80880887
2-chloro-4-methylaniline
CID 12007
8-(2-fluoro-5-methylphenoxy)quinolin-5-amine
CID 64855173
4-(2-chloro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332445
2-(2,4-difluorophenoxy)-4-methylaniline
CID 10105468
2-chloro-6-(2-chloro-4-methylphenoxy)aniline
CID 113458741
4-(2-chloro-4-methylphenoxy)-2-propan-2-yloxyaniline
CID 83002698
1-[2-(2-chloro-4-methylphenoxy)-6-fluorophenyl]ethanamine
CID 62671655

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenoxy)-3,4-difluoroaniline?
The IUPAC name of 2-(2-chloro-4-methylphenoxy)-3,4-difluoroaniline (CID 62670079) is 2-(2-chloro-4-methylphenoxy)-3,4-difluoroaniline.
What is the SMILES notation for 2-(2-chloro-4-methylphenoxy)-3,4-difluoroaniline?
The canonical SMILES for 2-(2-chloro-4-methylphenoxy)-3,4-difluoroaniline is Cc1ccc(Oc2c(N)ccc(F)c2F)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenoxy)-3,4-difluoroaniline?
The InChIKey is HDQGDDGPGDJOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO/c1-7-2-5-11(8(14)6-7)18-13-10(17)4-3-9(15)12(13)16/h2-6H,17H2,1H3.
What are the key properties of 2-(2-chloro-4-methylphenoxy)-3,4-difluoroaniline?
2-(2-chloro-4-methylphenoxy)-3,4-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-(2-chloro-4-methylphenoxy)-3,4-difluoroaniline is sourced from PubChem (CID 62670079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).