4-(2,3-dichlorophenyl)-2-methoxyaniline

C13H11Cl2NO — CID 164513718

IUPAC4-(2,3-dichlorophenyl)-2-methoxyaniline
SMILESCOc1cc(-c2cccc(Cl)c2Cl)ccc1N
InChIInChI=1S/C13H11Cl2NO/c1-17-12-7-8(5-6-11(12)16)9-3-2-4-10(14)13(9)15/h2-7H,16H2,1H3
InChIKeyJMVIODLPUHJVHF-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.25
Rot. Bonds2

About 4-(2,3-dichlorophenyl)-2-methoxyaniline

4-(2,3-dichlorophenyl)-2-methoxyaniline (PubChem CID 164513718) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-2-methoxyaniline.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-2-methoxyaniline
PubChem CID164513718
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name4-(2,3-dichlorophenyl)-2-methoxyaniline
SMILESCOc1cc(-c2cccc(Cl)c2Cl)ccc1N
InChIInChI=1S/C13H11Cl2NO/c1-17-12-7-8(5-6-11(12)16)9-3-2-4-10(14)13(9)15/h2-7H,16H2,1H3
InChIKeyJMVIODLPUHJVHF-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

4-(2,4-dichlorophenyl)-2-methoxyaniline
CID 164513719
4-(3-chlorophenyl)-2-methoxyaniline
CID 164513717
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene
CID 157477717
5-(2,3-dichlorophenyl)-2-methoxypyridin-3-amine
CID 133087146
1,2-dichloro-3-[4-chloro-3-(difluoromethoxy)phenyl]benzene
CID 118822247
2-(2,3-dichlorophenyl)-3-methoxypyridine
CID 90122655
2-amino-5-(4-amino-3-methoxyphenyl)phenol
CID 131862396
3-(2,3-dichlorophenyl)-5-methylaniline
CID 107579462
1,2,5-trichloro-3-(4-chloro-3-methoxyphenyl)benzene
CID 134627061
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
5-chloro-2-(3,4-dimethoxyphenyl)aniline
CID 81274731
2-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline
CID 107305490

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-2-methoxyaniline?
The IUPAC name of 4-(2,3-dichlorophenyl)-2-methoxyaniline (CID 164513718) is 4-(2,3-dichlorophenyl)-2-methoxyaniline.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-2-methoxyaniline?
The canonical SMILES for 4-(2,3-dichlorophenyl)-2-methoxyaniline is COc1cc(-c2cccc(Cl)c2Cl)ccc1N.
What is the InChIKey of 4-(2,3-dichlorophenyl)-2-methoxyaniline?
The InChIKey is JMVIODLPUHJVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c1-17-12-7-8(5-6-11(12)16)9-3-2-4-10(14)13(9)15/h2-7H,16H2,1H3.
What are the key properties of 4-(2,3-dichlorophenyl)-2-methoxyaniline?
4-(2,3-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-(2,3-dichlorophenyl)-2-methoxyaniline is sourced from PubChem (CID 164513718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).