4-[5-(4-aminophenyl)-2,4-dibromophenyl]aniline

C18H14Br2N2 — CID 89059489

IUPAC4-[5-(4-aminophenyl)-2,4-dibromophenyl]aniline
SMILESNc1ccc(-c2cc(-c3ccc(N)cc3)c(Br)cc2Br)cc1
InChIInChI=1S/C18H14Br2N2/c19-17-10-18(20)16(12-3-7-14(22)8-4-12)9-15(17)11-1-5-13(21)6-2-11/h1-10H,21-22H2
InChIKeyQCZBGEJEFLJDJO-UHFFFAOYSA-N
MW418.13 g/mol
LogP5.71
Rot. Bonds2

About 4-[5-(4-aminophenyl)-2,4-dibromophenyl]aniline

4-[5-(4-aminophenyl)-2,4-dibromophenyl]aniline (PubChem CID 89059489) has the molecular formula C18H14Br2N2 and a molecular weight of 418.13 g/mol. Its IUPAC name is 4-[5-(4-aminophenyl)-2,4-dibromophenyl]aniline.

Molecular Properties

Compound Name4-[5-(4-aminophenyl)-2,4-dibromophenyl]aniline
PubChem CID89059489
Molecular FormulaC18H14Br2N2
Molecular Weight418.13 g/mol
Exact Mass415.95
IUPAC Name4-[5-(4-aminophenyl)-2,4-dibromophenyl]aniline
SMILESNc1ccc(-c2cc(-c3ccc(N)cc3)c(Br)cc2Br)cc1
InChIInChI=1S/C18H14Br2N2/c19-17-10-18(20)16(12-3-7-14(22)8-4-12)9-15(17)11-1-5-13(21)6-2-11/h1-10H,21-22H2
InChIKeyQCZBGEJEFLJDJO-UHFFFAOYSA-N
XLogP5.71
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.13
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2,4-dibromo-5-(4-formylphenyl)phenyl]benzaldehyde
CID 89059488
1-bromo-4-[4-bromo-2,5-bis(4-phenylphenyl)phenyl]-2,5-bis(4-phenylphenyl)benzene
CID 175787735
4-[3,4-bis(4-aminophenyl)phenyl]aniline
CID 101079504
4-[3,5-bis(4-aminophenyl)phenyl]aniline
CID 12058813
4-(4-aminophenyl)aniline;tetrahydrochloride
CID 68733336
7,9-bis(4-aminophenyl)-6-bromo-3-azabicyclo[3.3.1]nona-1(9),5,7-triene-2,4-dione
CID 175762051
3-(4-aminophenyl)-4-methylsulfanylaniline
CID 68787818
5-amino-2-(4-aminophenyl)benzenesulfonamide
CID 102079717
4-(4-aminophenyl)aniline;azanide;nickel(2+)
CID 87835817
acetylene;4-(4-aminophenyl)aniline
CID 18766839
2-amino-5-(4-aminophenyl)benzene-1,4-diol
CID 90864919
4-[4-(2-phenylphenyl)phenyl]aniline
CID 167431375

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-aminophenyl)-2,4-dibromophenyl]aniline?
The IUPAC name of 4-[5-(4-aminophenyl)-2,4-dibromophenyl]aniline (CID 89059489) is 4-[5-(4-aminophenyl)-2,4-dibromophenyl]aniline.
What is the SMILES notation for 4-[5-(4-aminophenyl)-2,4-dibromophenyl]aniline?
The canonical SMILES for 4-[5-(4-aminophenyl)-2,4-dibromophenyl]aniline is Nc1ccc(-c2cc(-c3ccc(N)cc3)c(Br)cc2Br)cc1.
What is the InChIKey of 4-[5-(4-aminophenyl)-2,4-dibromophenyl]aniline?
The InChIKey is QCZBGEJEFLJDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Br2N2/c19-17-10-18(20)16(12-3-7-14(22)8-4-12)9-15(17)11-1-5-13(21)6-2-11/h1-10H,21-22H2.
What are the key properties of 4-[5-(4-aminophenyl)-2,4-dibromophenyl]aniline?
4-[5-(4-aminophenyl)-2,4-dibromophenyl]aniline has a molecular weight of 418.13 g/mol, XLogP of 5.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-aminophenyl)-2,4-dibromophenyl]aniline is sourced from PubChem (CID 89059489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).