4-(2,6-dichlorophenyl)-2-methylaniline

C13H11Cl2N — CID 170906772

IUPAC4-(2,6-dichlorophenyl)-2-methylaniline
SMILESCc1cc(-c2c(Cl)cccc2Cl)ccc1N
InChIInChI=1S/C13H11Cl2N/c1-8-7-9(5-6-12(8)16)13-10(14)3-2-4-11(13)15/h2-7H,16H2,1H3
InChIKeyVKVADIMCBPVSSG-UHFFFAOYSA-N
MW252.14 g/mol
LogP4.55
Rot. Bonds1

About 4-(2,6-dichlorophenyl)-2-methylaniline

4-(2,6-dichlorophenyl)-2-methylaniline (PubChem CID 170906772) has the molecular formula C13H11Cl2N and a molecular weight of 252.14 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-2-methylaniline.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-2-methylaniline
PubChem CID170906772
Molecular FormulaC13H11Cl2N
Molecular Weight252.14 g/mol
Exact Mass251.03
IUPAC Name4-(2,6-dichlorophenyl)-2-methylaniline
SMILESCc1cc(-c2c(Cl)cccc2Cl)ccc1N
InChIInChI=1S/C13H11Cl2N/c1-8-7-9(5-6-12(8)16)13-10(14)3-2-4-11(13)15/h2-7H,16H2,1H3
InChIKeyVKVADIMCBPVSSG-UHFFFAOYSA-N
XLogP4.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-(2,3,4,6-tetrachlorophenyl)aniline
CID 105349937
4-(3-chlorophenyl)-2-methylaniline
CID 23005189
2-[2-amino-4-(2,6-dichlorophenyl)-6-methylphenyl]guanidine
CID 143121597
1-chloro-2-(3-chloro-4-methylphenyl)-3-methylbenzene
CID 66252192
1-chloro-2-(4-fluoro-3-methylphenyl)-3-methylbenzene
CID 66251813
4-[4-(4-amino-3-methylphenyl)phenyl]-2-methylaniline
CID 57313034
bis(4-(4-amino-3-methylphenyl)-2-methylaniline);hydrate
CID 67544353
1,3,5-tris(2,6-dichlorophenyl)benzene
CID 134437988
7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-amine
CID 24822757
1,3-dichloro-2-(3-methoxy-4-methylphenyl)benzene
CID 119003875
4-(2,6-dimethylphenyl)-2,6-dimethylaniline
CID 155131505
2-methyl-4-(4-methylphenyl)aniline
CID 23005184

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-2-methylaniline?
The IUPAC name of 4-(2,6-dichlorophenyl)-2-methylaniline (CID 170906772) is 4-(2,6-dichlorophenyl)-2-methylaniline.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-2-methylaniline?
The canonical SMILES for 4-(2,6-dichlorophenyl)-2-methylaniline is Cc1cc(-c2c(Cl)cccc2Cl)ccc1N.
What is the InChIKey of 4-(2,6-dichlorophenyl)-2-methylaniline?
The InChIKey is VKVADIMCBPVSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N/c1-8-7-9(5-6-12(8)16)13-10(14)3-2-4-11(13)15/h2-7H,16H2,1H3.
What are the key properties of 4-(2,6-dichlorophenyl)-2-methylaniline?
4-(2,6-dichlorophenyl)-2-methylaniline has a molecular weight of 252.14 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)-2-methylaniline is sourced from PubChem (CID 170906772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).