5,8-dibromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine

C10H11Br2NO2 — CID 79416481

IUPAC5,8-dibromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1cc(Br)c2c(c1Br)C(N)CCO2
InChIInChI=1S/C10H11Br2NO2/c1-14-7-4-5(11)10-8(9(7)12)6(13)2-3-15-10/h4,6H,2-3,13H2,1H3
InChIKeyLIHFEDVTMBEZID-UHFFFAOYSA-N
MW337.01 g/mol
LogP3.00
Rot. Bonds1

About 5,8-dibromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine

5,8-dibromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 79416481) has the molecular formula C10H11Br2NO2 and a molecular weight of 337.01 g/mol. Its IUPAC name is 5,8-dibromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name5,8-dibromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID79416481
Molecular FormulaC10H11Br2NO2
Molecular Weight337.01 g/mol
Exact Mass334.92
IUPAC Name5,8-dibromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1cc(Br)c2c(c1Br)C(N)CCO2
InChIInChI=1S/C10H11Br2NO2/c1-14-7-4-5(11)10-8(9(7)12)6(13)2-3-15-10/h4,6H,2-3,13H2,1H3
InChIKeyLIHFEDVTMBEZID-UHFFFAOYSA-N
XLogP3.00
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.01
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,8-dibromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 5,8-dibromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 79416481) is 5,8-dibromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 5,8-dibromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 5,8-dibromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine is COc1cc(Br)c2c(c1Br)C(N)CCO2.
What is the InChIKey of 5,8-dibromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is LIHFEDVTMBEZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO2/c1-14-7-4-5(11)10-8(9(7)12)6(13)2-3-15-10/h4,6H,2-3,13H2,1H3.
What are the key properties of 5,8-dibromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
5,8-dibromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 337.01 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dibromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 79416481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).