5-(2,5-dichlorophenyl)-2-methoxyaniline

C13H11Cl2NO — CID 54971472

IUPAC5-(2,5-dichlorophenyl)-2-methoxyaniline
SMILESCOc1ccc(-c2cc(Cl)ccc2Cl)cc1N
InChIInChI=1S/C13H11Cl2NO/c1-17-13-5-2-8(6-12(13)16)10-7-9(14)3-4-11(10)15/h2-7H,16H2,1H3
InChIKeyIXRKUXNPUVJJTA-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.25
Rot. Bonds2

About 5-(2,5-dichlorophenyl)-2-methoxyaniline

5-(2,5-dichlorophenyl)-2-methoxyaniline (PubChem CID 54971472) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)-2-methoxyaniline.

Molecular Properties

Compound Name5-(2,5-dichlorophenyl)-2-methoxyaniline
PubChem CID54971472
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name5-(2,5-dichlorophenyl)-2-methoxyaniline
SMILESCOc1ccc(-c2cc(Cl)ccc2Cl)cc1N
InChIInChI=1S/C13H11Cl2NO/c1-17-13-5-2-8(6-12(13)16)10-7-9(14)3-4-11(10)15/h2-7H,16H2,1H3
InChIKeyIXRKUXNPUVJJTA-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

1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 119008746
4-chloro-5-(2,5-dichlorophenyl)-2-methoxyaniline
CID 90455887
5-chloro-2-methoxyaniline;hydron;chloride
CID 164511506
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
5-chloro-2-(3,4-dimethoxyphenyl)aniline
CID 81274731
4-(2,4-dichlorophenyl)-2-methoxyaniline
CID 164513719
5-chloro-2-(3-fluoro-4-methoxyphenyl)aniline
CID 81274573
2-chloro-5-(3-chloro-4-methoxyphenyl)aniline
CID 62908744
4-(3-amino-4-methoxyphenyl)benzene-1,3-diamine
CID 22062010
5-(5-chloro-1-benzofuran-2-yl)-2-methoxyaniline
CID 114731889
5-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxyaniline
CID 79527850
[3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine
CID 39233257

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)-2-methoxyaniline?
The IUPAC name of 5-(2,5-dichlorophenyl)-2-methoxyaniline (CID 54971472) is 5-(2,5-dichlorophenyl)-2-methoxyaniline.
What is the SMILES notation for 5-(2,5-dichlorophenyl)-2-methoxyaniline?
The canonical SMILES for 5-(2,5-dichlorophenyl)-2-methoxyaniline is COc1ccc(-c2cc(Cl)ccc2Cl)cc1N.
What is the InChIKey of 5-(2,5-dichlorophenyl)-2-methoxyaniline?
The InChIKey is IXRKUXNPUVJJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c1-17-13-5-2-8(6-12(13)16)10-7-9(14)3-4-11(10)15/h2-7H,16H2,1H3.
What are the key properties of 5-(2,5-dichlorophenyl)-2-methoxyaniline?
5-(2,5-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 5-(2,5-dichlorophenyl)-2-methoxyaniline is sourced from PubChem (CID 54971472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).