4-(4-aminophenyl)-3,5-dichloroaniline;hydrochloride

C12H11Cl3N2 — CID 172846418

IUPAC4-(4-aminophenyl)-3,5-dichloroaniline;hydrochloride
SMILESCl.Nc1ccc(-c2c(Cl)cc(N)cc2Cl)cc1
InChIInChI=1S/C12H10Cl2N2.ClH/c13-10-5-9(16)6-11(14)12(10)7-1-3-8(15)4-2-7;/h1-6H,15-16H2;1H
InChIKeyXMFFQFIEQXGHKY-UHFFFAOYSA-N
MW289.59 g/mol
LogP4.25
Rot. Bonds1

About 4-(4-aminophenyl)-3,5-dichloroaniline;hydrochloride

4-(4-aminophenyl)-3,5-dichloroaniline;hydrochloride (PubChem CID 172846418) has the molecular formula C12H11Cl3N2 and a molecular weight of 289.59 g/mol. Its IUPAC name is 4-(4-aminophenyl)-3,5-dichloroaniline;hydrochloride.

Molecular Properties

Compound Name4-(4-aminophenyl)-3,5-dichloroaniline;hydrochloride
PubChem CID172846418
Molecular FormulaC12H11Cl3N2
Molecular Weight289.59 g/mol
Exact Mass288.00
IUPAC Name4-(4-aminophenyl)-3,5-dichloroaniline;hydrochloride
SMILESCl.Nc1ccc(-c2c(Cl)cc(N)cc2Cl)cc1
InChIInChI=1S/C12H10Cl2N2.ClH/c13-10-5-9(16)6-11(14)12(10)7-1-3-8(15)4-2-7;/h1-6H,15-16H2;1H
InChIKeyXMFFQFIEQXGHKY-UHFFFAOYSA-N
XLogP4.25
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.59
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-3,5-dichloroaniline;hydrochloride?
The IUPAC name of 4-(4-aminophenyl)-3,5-dichloroaniline;hydrochloride (CID 172846418) is 4-(4-aminophenyl)-3,5-dichloroaniline;hydrochloride.
What is the SMILES notation for 4-(4-aminophenyl)-3,5-dichloroaniline;hydrochloride?
The canonical SMILES for 4-(4-aminophenyl)-3,5-dichloroaniline;hydrochloride is Cl.Nc1ccc(-c2c(Cl)cc(N)cc2Cl)cc1.
What is the InChIKey of 4-(4-aminophenyl)-3,5-dichloroaniline;hydrochloride?
The InChIKey is XMFFQFIEQXGHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2.ClH/c13-10-5-9(16)6-11(14)12(10)7-1-3-8(15)4-2-7;/h1-6H,15-16H2;1H.
What are the key properties of 4-(4-aminophenyl)-3,5-dichloroaniline;hydrochloride?
4-(4-aminophenyl)-3,5-dichloroaniline;hydrochloride has a molecular weight of 289.59 g/mol, XLogP of 4.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-3,5-dichloroaniline;hydrochloride is sourced from PubChem (CID 172846418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).