4-(4-aminophenyl)-1,5-dichlorocyclohexa-2,4-dien-1-amine;dihydrochloride

C12H14Cl4N2 — CID 175597571

IUPAC4-(4-aminophenyl)-1,5-dichlorocyclohexa-2,4-dien-1-amine;dihydrochloride
SMILESCl.Cl.Nc1ccc(C2=C(Cl)CC(N)(Cl)C=C2)cc1
InChIInChI=1S/C12H12Cl2N2.2ClH/c13-11-7-12(14,16)6-5-10(11)8-1-3-9(15)4-2-8;;/h1-6H,7,15-16H2;2*1H
InChIKeyKZZGAPKDSVCFTN-UHFFFAOYSA-N
MW328.07 g/mol
LogP3.92
Rot. Bonds1

About 4-(4-aminophenyl)-1,5-dichlorocyclohexa-2,4-dien-1-amine;dihydrochloride

4-(4-aminophenyl)-1,5-dichlorocyclohexa-2,4-dien-1-amine;dihydrochloride (PubChem CID 175597571) has the molecular formula C12H14Cl4N2 and a molecular weight of 328.07 g/mol. Its IUPAC name is 4-(4-aminophenyl)-1,5-dichlorocyclohexa-2,4-dien-1-amine;dihydrochloride.

Molecular Properties

Compound Name4-(4-aminophenyl)-1,5-dichlorocyclohexa-2,4-dien-1-amine;dihydrochloride
PubChem CID175597571
Molecular FormulaC12H14Cl4N2
Molecular Weight328.07 g/mol
Exact Mass325.99
IUPAC Name4-(4-aminophenyl)-1,5-dichlorocyclohexa-2,4-dien-1-amine;dihydrochloride
SMILESCl.Cl.Nc1ccc(C2=C(Cl)CC(N)(Cl)C=C2)cc1
InChIInChI=1S/C12H12Cl2N2.2ClH/c13-11-7-12(14,16)6-5-10(11)8-1-3-9(15)4-2-8;;/h1-6H,7,15-16H2;2*1H
InChIKeyKZZGAPKDSVCFTN-UHFFFAOYSA-N
XLogP3.92
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.07
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenyl)-5-fluoro-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine;hydrochloride
CID 172712275
4-(4-aminophenyl)aniline;tetrahydrochloride
CID 68733336
4-(4-aminophenyl)aniline;chloromethane
CID 174340925
4-(4-aminophenyl)aniline;azanide;nickel(2+)
CID 87835817
acetylene;4-(4-aminophenyl)aniline
CID 18766839
4-(4-amino-4-fluorocyclohexa-1,5-dien-1-yl)aniline;hydrochloride
CID 172857422
4-[3,5-bis(4-aminophenyl)phenyl]aniline
CID 12058813
4-(4-amino-4-fluorocyclohexa-1,5-dien-1-yl)aniline
CID 152526557
azane;benzene-1,4-diamine;dihydrochloride
CID 70409738
4-(4-aminophenyl)-3,5-dichloroaniline;hydrochloride
CID 172846418
4-(4-aminophenyl)cyclohexa-3,5-diene-1,1,2-triamine
CID 69280417
4-(4-amino-4-azidocyclohexa-1,5-dien-1-yl)aniline
CID 150029396

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-1,5-dichlorocyclohexa-2,4-dien-1-amine;dihydrochloride?
The IUPAC name of 4-(4-aminophenyl)-1,5-dichlorocyclohexa-2,4-dien-1-amine;dihydrochloride (CID 175597571) is 4-(4-aminophenyl)-1,5-dichlorocyclohexa-2,4-dien-1-amine;dihydrochloride.
What is the SMILES notation for 4-(4-aminophenyl)-1,5-dichlorocyclohexa-2,4-dien-1-amine;dihydrochloride?
The canonical SMILES for 4-(4-aminophenyl)-1,5-dichlorocyclohexa-2,4-dien-1-amine;dihydrochloride is Cl.Cl.Nc1ccc(C2=C(Cl)CC(N)(Cl)C=C2)cc1.
What is the InChIKey of 4-(4-aminophenyl)-1,5-dichlorocyclohexa-2,4-dien-1-amine;dihydrochloride?
The InChIKey is KZZGAPKDSVCFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2.2ClH/c13-11-7-12(14,16)6-5-10(11)8-1-3-9(15)4-2-8;;/h1-6H,7,15-16H2;2*1H.
What are the key properties of 4-(4-aminophenyl)-1,5-dichlorocyclohexa-2,4-dien-1-amine;dihydrochloride?
4-(4-aminophenyl)-1,5-dichlorocyclohexa-2,4-dien-1-amine;dihydrochloride has a molecular weight of 328.07 g/mol, XLogP of 3.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-1,5-dichlorocyclohexa-2,4-dien-1-amine;dihydrochloride is sourced from PubChem (CID 175597571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).