4-(2,4-dichlorophenyl)-2-methoxyaniline

C13H11Cl2NO — CID 164513719

IUPAC4-(2,4-dichlorophenyl)-2-methoxyaniline
SMILESCOc1cc(-c2ccc(Cl)cc2Cl)ccc1N
InChIInChI=1S/C13H11Cl2NO/c1-17-13-6-8(2-5-12(13)16)10-4-3-9(14)7-11(10)15/h2-7H,16H2,1H3
InChIKeyYABQIWOJPUWKBS-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.25
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-2-methoxyaniline

4-(2,4-dichlorophenyl)-2-methoxyaniline (PubChem CID 164513719) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-2-methoxyaniline.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-2-methoxyaniline
PubChem CID164513719
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name4-(2,4-dichlorophenyl)-2-methoxyaniline
SMILESCOc1cc(-c2ccc(Cl)cc2Cl)ccc1N
InChIInChI=1S/C13H11Cl2NO/c1-17-13-6-8(2-5-12(13)16)10-4-3-9(14)7-11(10)15/h2-7H,16H2,1H3
InChIKeyYABQIWOJPUWKBS-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
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

5-chloro-2-(3,4-dimethoxyphenyl)aniline
CID 81274731
4-(3-chlorophenyl)-2-methoxyaniline
CID 164513717
4-(2,3-dichlorophenyl)-2-methoxyaniline
CID 164513718
5-(2,5-dichlorophenyl)-2-methoxyaniline
CID 54971472
5-(2,4-dichlorophenyl)-2-fluoroaniline
CID 91827858
4-chloro-5-(2,5-dichlorophenyl)-2-methoxyaniline
CID 90455887
2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene
CID 70266325
5-chloro-2-(3-fluoro-4-methoxyphenyl)aniline
CID 81274573
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene
CID 157477717
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3337532
N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine
CID 63428117
4-chloro-2-(2,4-dichlorophenyl)aniline
CID 81274576

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-2-methoxyaniline?
The IUPAC name of 4-(2,4-dichlorophenyl)-2-methoxyaniline (CID 164513719) is 4-(2,4-dichlorophenyl)-2-methoxyaniline.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-2-methoxyaniline?
The canonical SMILES for 4-(2,4-dichlorophenyl)-2-methoxyaniline is COc1cc(-c2ccc(Cl)cc2Cl)ccc1N.
What is the InChIKey of 4-(2,4-dichlorophenyl)-2-methoxyaniline?
The InChIKey is YABQIWOJPUWKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c1-17-13-6-8(2-5-12(13)16)10-4-3-9(14)7-11(10)15/h2-7H,16H2,1H3.
What are the key properties of 4-(2,4-dichlorophenyl)-2-methoxyaniline?
4-(2,4-dichlorophenyl)-2-methoxyaniline has a molecular weight of 268.14 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-2-methoxyaniline is sourced from PubChem (CID 164513719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).