2,6-dichloro-N-(2-methylphenyl)aniline

C13H11Cl2N — CID 19002392

IUPAC2,6-dichloro-N-(2-methylphenyl)aniline
SMILESCc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H11Cl2N/c1-9-5-2-3-8-12(9)16-13-10(14)6-4-7-11(13)15/h2-8,16H,1H3
InChIKeyDHYBZJWRKXTOEP-UHFFFAOYSA-N
MW252.14 g/mol
LogP5.05
Rot. Bonds2

About 2,6-dichloro-N-(2-methylphenyl)aniline

2,6-dichloro-N-(2-methylphenyl)aniline (PubChem CID 19002392) has the molecular formula C13H11Cl2N and a molecular weight of 252.14 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-methylphenyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-N-(2-methylphenyl)aniline
PubChem CID19002392
Molecular FormulaC13H11Cl2N
Molecular Weight252.14 g/mol
Exact Mass251.03
IUPAC Name2,6-dichloro-N-(2-methylphenyl)aniline
SMILESCc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H11Cl2N/c1-9-5-2-3-8-12(9)16-13-10(14)6-4-7-11(13)15/h2-8,16H,1H3
InChIKeyDHYBZJWRKXTOEP-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.14
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2-methylphenyl)aniline?
The IUPAC name of 2,6-dichloro-N-(2-methylphenyl)aniline (CID 19002392) is 2,6-dichloro-N-(2-methylphenyl)aniline.
What is the SMILES notation for 2,6-dichloro-N-(2-methylphenyl)aniline?
The canonical SMILES for 2,6-dichloro-N-(2-methylphenyl)aniline is Cc1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(2-methylphenyl)aniline?
The InChIKey is DHYBZJWRKXTOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N/c1-9-5-2-3-8-12(9)16-13-10(14)6-4-7-11(13)15/h2-8,16H,1H3.
What are the key properties of 2,6-dichloro-N-(2-methylphenyl)aniline?
2,6-dichloro-N-(2-methylphenyl)aniline has a molecular weight of 252.14 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2-methylphenyl)aniline is sourced from PubChem (CID 19002392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).