2-chloro-4,6-diphenylaniline

C18H14ClN — CID 59080086

IUPAC2-chloro-4,6-diphenylaniline
SMILESNc1c(Cl)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C18H14ClN/c19-17-12-15(13-7-3-1-4-8-13)11-16(18(17)20)14-9-5-2-6-10-14/h1-12H,20H2
InChIKeyWRCRSCJRXHPPRP-UHFFFAOYSA-N
MW279.77 g/mol
LogP5.26
Rot. Bonds2

About 2-chloro-4,6-diphenylaniline

2-chloro-4,6-diphenylaniline (PubChem CID 59080086) has the molecular formula C18H14ClN and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-chloro-4,6-diphenylaniline.

Molecular Properties

Compound Name2-chloro-4,6-diphenylaniline
PubChem CID59080086
Molecular FormulaC18H14ClN
Molecular Weight279.77 g/mol
Exact Mass279.08
IUPAC Name2-chloro-4,6-diphenylaniline
SMILESNc1c(Cl)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C18H14ClN/c19-17-12-15(13-7-3-1-4-8-13)11-16(18(17)20)14-9-5-2-6-10-14/h1-12H,20H2
InChIKeyWRCRSCJRXHPPRP-UHFFFAOYSA-N
XLogP5.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.77
LogP ≤ 55.26
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-chloro-4,6-diphenylaniline?
The IUPAC name of 2-chloro-4,6-diphenylaniline (CID 59080086) is 2-chloro-4,6-diphenylaniline.
What is the SMILES notation for 2-chloro-4,6-diphenylaniline?
The canonical SMILES for 2-chloro-4,6-diphenylaniline is Nc1c(Cl)cc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 2-chloro-4,6-diphenylaniline?
The InChIKey is WRCRSCJRXHPPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN/c19-17-12-15(13-7-3-1-4-8-13)11-16(18(17)20)14-9-5-2-6-10-14/h1-12H,20H2.
What are the key properties of 2-chloro-4,6-diphenylaniline?
2-chloro-4,6-diphenylaniline has a molecular weight of 279.77 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-diphenylaniline is sourced from PubChem (CID 59080086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).