2,3-dichloro-6-phenylaniline

C12H9Cl2N — CID 22267323

IUPAC2,3-dichloro-6-phenylaniline
SMILESNc1c(-c2ccccc2)ccc(Cl)c1Cl
InChIInChI=1S/C12H9Cl2N/c13-10-7-6-9(12(15)11(10)14)8-4-2-1-3-5-8/h1-7H,15H2
InChIKeyATFVWNLJMJFSOW-UHFFFAOYSA-N
MW238.12 g/mol
LogP4.24
Rot. Bonds1

About 2,3-dichloro-6-phenylaniline

2,3-dichloro-6-phenylaniline (PubChem CID 22267323) has the molecular formula C12H9Cl2N and a molecular weight of 238.12 g/mol. Its IUPAC name is 2,3-dichloro-6-phenylaniline.

Molecular Properties

Compound Name2,3-dichloro-6-phenylaniline
PubChem CID22267323
Molecular FormulaC12H9Cl2N
Molecular Weight238.12 g/mol
Exact Mass237.01
IUPAC Name2,3-dichloro-6-phenylaniline
SMILESNc1c(-c2ccccc2)ccc(Cl)c1Cl
InChIInChI=1S/C12H9Cl2N/c13-10-7-6-9(12(15)11(10)14)8-4-2-1-3-5-8/h1-7H,15H2
InChIKeyATFVWNLJMJFSOW-UHFFFAOYSA-N
XLogP4.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-6-phenylaniline?
The IUPAC name of 2,3-dichloro-6-phenylaniline (CID 22267323) is 2,3-dichloro-6-phenylaniline.
What is the SMILES notation for 2,3-dichloro-6-phenylaniline?
The canonical SMILES for 2,3-dichloro-6-phenylaniline is Nc1c(-c2ccccc2)ccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-6-phenylaniline?
The InChIKey is ATFVWNLJMJFSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N/c13-10-7-6-9(12(15)11(10)14)8-4-2-1-3-5-8/h1-7H,15H2.
What are the key properties of 2,3-dichloro-6-phenylaniline?
2,3-dichloro-6-phenylaniline has a molecular weight of 238.12 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-6-phenylaniline is sourced from PubChem (CID 22267323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).