1-(2-amino-6-bromonaphthalen-1-yl)-6-bromonaphthalen-2-amine

C20H14Br2N2 — CID 59591946

IUPAC1-(2-amino-6-bromonaphthalen-1-yl)-6-bromonaphthalen-2-amine
SMILESNc1ccc2cc(Br)ccc2c1-c1c(N)ccc2cc(Br)ccc12
InChIInChI=1S/C20H14Br2N2/c21-13-3-5-15-11(9-13)1-7-17(23)19(15)20-16-6-4-14(22)10-12(16)2-8-18(20)24/h1-10H,23-24H2
InChIKeyZSBNVMOCQBZNDW-UHFFFAOYSA-N
MW442.15 g/mol
LogP6.35
Rot. Bonds1

About 1-(2-amino-6-bromonaphthalen-1-yl)-6-bromonaphthalen-2-amine

1-(2-amino-6-bromonaphthalen-1-yl)-6-bromonaphthalen-2-amine (PubChem CID 59591946) has the molecular formula C20H14Br2N2 and a molecular weight of 442.15 g/mol. Its IUPAC name is 1-(2-amino-6-bromonaphthalen-1-yl)-6-bromonaphthalen-2-amine.

Molecular Properties

Compound Name1-(2-amino-6-bromonaphthalen-1-yl)-6-bromonaphthalen-2-amine
PubChem CID59591946
Molecular FormulaC20H14Br2N2
Molecular Weight442.15 g/mol
Exact Mass439.95
IUPAC Name1-(2-amino-6-bromonaphthalen-1-yl)-6-bromonaphthalen-2-amine
SMILESNc1ccc2cc(Br)ccc2c1-c1c(N)ccc2cc(Br)ccc12
InChIInChI=1S/C20H14Br2N2/c21-13-3-5-15-11(9-13)1-7-17(23)19(15)20-16-6-4-14(22)10-12(16)2-8-18(20)24/h1-10H,23-24H2
InChIKeyZSBNVMOCQBZNDW-UHFFFAOYSA-N
XLogP6.35
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.15
LogP ≤ 56.35
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 1-(2-amino-6-bromonaphthalen-1-yl)-6-bromonaphthalen-2-amine?
The IUPAC name of 1-(2-amino-6-bromonaphthalen-1-yl)-6-bromonaphthalen-2-amine (CID 59591946) is 1-(2-amino-6-bromonaphthalen-1-yl)-6-bromonaphthalen-2-amine.
What is the SMILES notation for 1-(2-amino-6-bromonaphthalen-1-yl)-6-bromonaphthalen-2-amine?
The canonical SMILES for 1-(2-amino-6-bromonaphthalen-1-yl)-6-bromonaphthalen-2-amine is Nc1ccc2cc(Br)ccc2c1-c1c(N)ccc2cc(Br)ccc12.
What is the InChIKey of 1-(2-amino-6-bromonaphthalen-1-yl)-6-bromonaphthalen-2-amine?
The InChIKey is ZSBNVMOCQBZNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Br2N2/c21-13-3-5-15-11(9-13)1-7-17(23)19(15)20-16-6-4-14(22)10-12(16)2-8-18(20)24/h1-10H,23-24H2.
What are the key properties of 1-(2-amino-6-bromonaphthalen-1-yl)-6-bromonaphthalen-2-amine?
1-(2-amino-6-bromonaphthalen-1-yl)-6-bromonaphthalen-2-amine has a molecular weight of 442.15 g/mol, XLogP of 6.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-bromonaphthalen-1-yl)-6-bromonaphthalen-2-amine is sourced from PubChem (CID 59591946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).