2-(2,4-dichloro-3-methylphenoxy)aniline

C13H11Cl2NO — CID 141466891

IUPAC2-(2,4-dichloro-3-methylphenoxy)aniline
SMILESCc1c(Cl)ccc(Oc2ccccc2N)c1Cl
InChIInChI=1S/C13H11Cl2NO/c1-8-9(14)6-7-12(13(8)15)17-11-5-3-2-4-10(11)16/h2-7H,16H2,1H3
InChIKeyIZFVLBVBWRXHOK-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.68
Rot. Bonds2

About 2-(2,4-dichloro-3-methylphenoxy)aniline

2-(2,4-dichloro-3-methylphenoxy)aniline (PubChem CID 141466891) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 2-(2,4-dichloro-3-methylphenoxy)aniline.

Molecular Properties

Compound Name2-(2,4-dichloro-3-methylphenoxy)aniline
PubChem CID141466891
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name2-(2,4-dichloro-3-methylphenoxy)aniline
SMILESCc1c(Cl)ccc(Oc2ccccc2N)c1Cl
InChIInChI=1S/C13H11Cl2NO/c1-8-9(14)6-7-12(13(8)15)17-11-5-3-2-4-10(11)16/h2-7H,16H2,1H3
InChIKeyIZFVLBVBWRXHOK-UHFFFAOYSA-N
XLogP4.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 54.68
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-chloro-5-methylphenoxy)aniline
CID 26189098
2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338600
4-(2-aminophenoxy)-3-chloroaniline
CID 66486738
3-(3-amino-2-methylphenoxy)-2-methylaniline
CID 18405813
4-(2-aminophenoxy)-5-chlorobenzene-1,2-dicarbonitrile
CID 12978921
2-[(3-chloro-2-pyridinyl)oxy]aniline
CID 43363998
2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 22338373
2-aminophenol;2-(2-aminophenoxy)aniline
CID 174452334
1-[3-(3-amino-2-chlorophenoxy)-2,6-dimethylphenyl]ethanone;ethane
CID 155747880
2,5-dichloroaniline;2-ethoxyaniline
CID 19102396
5-chloro-4-(2-chlorophenoxy)-2-methylaniline
CID 118588956
2-methyl-3-phenoxyaniline;hydrochloride
CID 142758143

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-3-methylphenoxy)aniline?
The IUPAC name of 2-(2,4-dichloro-3-methylphenoxy)aniline (CID 141466891) is 2-(2,4-dichloro-3-methylphenoxy)aniline.
What is the SMILES notation for 2-(2,4-dichloro-3-methylphenoxy)aniline?
The canonical SMILES for 2-(2,4-dichloro-3-methylphenoxy)aniline is Cc1c(Cl)ccc(Oc2ccccc2N)c1Cl.
What is the InChIKey of 2-(2,4-dichloro-3-methylphenoxy)aniline?
The InChIKey is IZFVLBVBWRXHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c1-8-9(14)6-7-12(13(8)15)17-11-5-3-2-4-10(11)16/h2-7H,16H2,1H3.
What are the key properties of 2-(2,4-dichloro-3-methylphenoxy)aniline?
2-(2,4-dichloro-3-methylphenoxy)aniline has a molecular weight of 268.14 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-3-methylphenoxy)aniline is sourced from PubChem (CID 141466891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).