1-(2-amino-7-bromonaphthalen-1-yl)-7-bromonaphthalen-2-amine

C20H14Br2N2 — CID 11775072

IUPAC1-(2-amino-7-bromonaphthalen-1-yl)-7-bromonaphthalen-2-amine
SMILESNc1ccc2ccc(Br)cc2c1-c1c(N)ccc2ccc(Br)cc12
InChIInChI=1S/C20H14Br2N2/c21-13-5-1-11-3-7-17(23)19(15(11)9-13)20-16-10-14(22)6-2-12(16)4-8-18(20)24/h1-10H,23-24H2
InChIKeyMCTVDZPQOYTBFL-UHFFFAOYSA-N
MW442.15 g/mol
LogP6.35
Rot. Bonds1

About 1-(2-amino-7-bromonaphthalen-1-yl)-7-bromonaphthalen-2-amine

1-(2-amino-7-bromonaphthalen-1-yl)-7-bromonaphthalen-2-amine (PubChem CID 11775072) has the molecular formula C20H14Br2N2 and a molecular weight of 442.15 g/mol. Its IUPAC name is 1-(2-amino-7-bromonaphthalen-1-yl)-7-bromonaphthalen-2-amine.

Molecular Properties

Compound Name1-(2-amino-7-bromonaphthalen-1-yl)-7-bromonaphthalen-2-amine
PubChem CID11775072
Molecular FormulaC20H14Br2N2
Molecular Weight442.15 g/mol
Exact Mass439.95
IUPAC Name1-(2-amino-7-bromonaphthalen-1-yl)-7-bromonaphthalen-2-amine
SMILESNc1ccc2ccc(Br)cc2c1-c1c(N)ccc2ccc(Br)cc12
InChIInChI=1S/C20H14Br2N2/c21-13-5-1-11-3-7-17(23)19(15(11)9-13)20-16-10-14(22)6-2-12(16)4-8-18(20)24/h1-10H,23-24H2
InChIKeyMCTVDZPQOYTBFL-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'}

Analyze 1-(2-amino-7-bromonaphthalen-1-yl)-7-bromonaphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-7-bromonaphthalen-1-yl)-7-bromonaphthalen-2-amine?
The IUPAC name of 1-(2-amino-7-bromonaphthalen-1-yl)-7-bromonaphthalen-2-amine (CID 11775072) is 1-(2-amino-7-bromonaphthalen-1-yl)-7-bromonaphthalen-2-amine.
What is the SMILES notation for 1-(2-amino-7-bromonaphthalen-1-yl)-7-bromonaphthalen-2-amine?
The canonical SMILES for 1-(2-amino-7-bromonaphthalen-1-yl)-7-bromonaphthalen-2-amine is Nc1ccc2ccc(Br)cc2c1-c1c(N)ccc2ccc(Br)cc12.
What is the InChIKey of 1-(2-amino-7-bromonaphthalen-1-yl)-7-bromonaphthalen-2-amine?
The InChIKey is MCTVDZPQOYTBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Br2N2/c21-13-5-1-11-3-7-17(23)19(15(11)9-13)20-16-10-14(22)6-2-12(16)4-8-18(20)24/h1-10H,23-24H2.
What are the key properties of 1-(2-amino-7-bromonaphthalen-1-yl)-7-bromonaphthalen-2-amine?
1-(2-amino-7-bromonaphthalen-1-yl)-7-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-7-bromonaphthalen-1-yl)-7-bromonaphthalen-2-amine is sourced from PubChem (CID 11775072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).