4-(4-amino-3-chlorophenyl)-2-chloroaniline;dihydrochloride

C12H12Cl4N2 — CID 11933

IUPAC4-(4-amino-3-chlorophenyl)-2-chloroaniline;dihydrochloride
SMILESCl.Cl.Nc1ccc(-c2ccc(N)c(Cl)c2)cc1Cl
InChIInChI=1S/C12H10Cl2N2.2ClH/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8;;/h1-6H,15-16H2;2*1H
InChIKeyBXAONUZFBUNTQR-UHFFFAOYSA-N
MW326.05 g/mol
LogP4.67
Rot. Bonds1

About 4-(4-amino-3-chlorophenyl)-2-chloroaniline;dihydrochloride

4-(4-amino-3-chlorophenyl)-2-chloroaniline;dihydrochloride (PubChem CID 11933) has the molecular formula C12H12Cl4N2 and a molecular weight of 326.05 g/mol. Its IUPAC name is 4-(4-amino-3-chlorophenyl)-2-chloroaniline;dihydrochloride.

Molecular Properties

Compound Name4-(4-amino-3-chlorophenyl)-2-chloroaniline;dihydrochloride
PubChem CID11933
Molecular FormulaC12H12Cl4N2
Molecular Weight326.05 g/mol
Exact Mass323.98
IUPAC Name4-(4-amino-3-chlorophenyl)-2-chloroaniline;dihydrochloride
SMILESCl.Cl.Nc1ccc(-c2ccc(N)c(Cl)c2)cc1Cl
InChIInChI=1S/C12H10Cl2N2.2ClH/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8;;/h1-6H,15-16H2;2*1H
InChIKeyBXAONUZFBUNTQR-UHFFFAOYSA-N
XLogP4.67
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.05
LogP ≤ 54.67
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-amino-3-chlorophenyl)-2-chloroaniline;dihydrochloride?
The IUPAC name of 4-(4-amino-3-chlorophenyl)-2-chloroaniline;dihydrochloride (CID 11933) is 4-(4-amino-3-chlorophenyl)-2-chloroaniline;dihydrochloride.
What is the SMILES notation for 4-(4-amino-3-chlorophenyl)-2-chloroaniline;dihydrochloride?
The canonical SMILES for 4-(4-amino-3-chlorophenyl)-2-chloroaniline;dihydrochloride is Cl.Cl.Nc1ccc(-c2ccc(N)c(Cl)c2)cc1Cl.
What is the InChIKey of 4-(4-amino-3-chlorophenyl)-2-chloroaniline;dihydrochloride?
The InChIKey is BXAONUZFBUNTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2.2ClH/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8;;/h1-6H,15-16H2;2*1H.
What are the key properties of 4-(4-amino-3-chlorophenyl)-2-chloroaniline;dihydrochloride?
4-(4-amino-3-chlorophenyl)-2-chloroaniline;dihydrochloride has a molecular weight of 326.05 g/mol, XLogP of 4.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-chlorophenyl)-2-chloroaniline;dihydrochloride is sourced from PubChem (CID 11933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).