5-bromo-6,7-dimethoxynaphthalen-1-amine

C12H12BrNO2 — CID 89053880

IUPAC5-bromo-6,7-dimethoxynaphthalen-1-amine
SMILESCOc1cc2c(N)cccc2c(Br)c1OC
InChIInChI=1S/C12H12BrNO2/c1-15-10-6-8-7(4-3-5-9(8)14)11(13)12(10)16-2/h3-6H,14H2,1-2H3
InChIKeyGQXBYHMZEOHXER-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.20
Rot. Bonds2

About 5-bromo-6,7-dimethoxynaphthalen-1-amine

5-bromo-6,7-dimethoxynaphthalen-1-amine (PubChem CID 89053880) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 5-bromo-6,7-dimethoxynaphthalen-1-amine.

Molecular Properties

Compound Name5-bromo-6,7-dimethoxynaphthalen-1-amine
PubChem CID89053880
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name5-bromo-6,7-dimethoxynaphthalen-1-amine
SMILESCOc1cc2c(N)cccc2c(Br)c1OC
InChIInChI=1S/C12H12BrNO2/c1-15-10-6-8-7(4-3-5-9(8)14)11(13)12(10)16-2/h3-6H,14H2,1-2H3
InChIKeyGQXBYHMZEOHXER-UHFFFAOYSA-N
XLogP3.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6,7-dimethoxynaphthalen-1-amine?
The IUPAC name of 5-bromo-6,7-dimethoxynaphthalen-1-amine (CID 89053880) is 5-bromo-6,7-dimethoxynaphthalen-1-amine.
What is the SMILES notation for 5-bromo-6,7-dimethoxynaphthalen-1-amine?
The canonical SMILES for 5-bromo-6,7-dimethoxynaphthalen-1-amine is COc1cc2c(N)cccc2c(Br)c1OC.
What is the InChIKey of 5-bromo-6,7-dimethoxynaphthalen-1-amine?
The InChIKey is GQXBYHMZEOHXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-15-10-6-8-7(4-3-5-9(8)14)11(13)12(10)16-2/h3-6H,14H2,1-2H3.
What are the key properties of 5-bromo-6,7-dimethoxynaphthalen-1-amine?
5-bromo-6,7-dimethoxynaphthalen-1-amine has a molecular weight of 282.14 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6,7-dimethoxynaphthalen-1-amine is sourced from PubChem (CID 89053880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).