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

C13H17Br2NO2 — CID 79415813

IUPAC5,8-dibromo-6-methoxy-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1cc(Br)c2c(c1Br)C(NC(C)C)CCO2
InChIInChI=1S/C13H17Br2NO2/c1-7(2)16-9-4-5-18-13-8(14)6-10(17-3)12(15)11(9)13/h6-7,9,16H,4-5H2,1-3H3
InChIKeyXVTDDDPJCRZMMK-UHFFFAOYSA-N
MW379.09 g/mol
LogP4.04
Rot. Bonds3

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

5,8-dibromo-6-methoxy-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 79415813) has the molecular formula C13H17Br2NO2 and a molecular weight of 379.09 g/mol. Its IUPAC name is 5,8-dibromo-6-methoxy-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name5,8-dibromo-6-methoxy-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID79415813
Molecular FormulaC13H17Br2NO2
Molecular Weight379.09 g/mol
Exact Mass376.96
IUPAC Name5,8-dibromo-6-methoxy-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1cc(Br)c2c(c1Br)C(NC(C)C)CCO2
InChIInChI=1S/C13H17Br2NO2/c1-7(2)16-9-4-5-18-13-8(14)6-10(17-3)12(15)11(9)13/h6-7,9,16H,4-5H2,1-3H3
InChIKeyXVTDDDPJCRZMMK-UHFFFAOYSA-N
XLogP4.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.09
LogP ≤ 54.04
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-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 5,8-dibromo-6-methoxy-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine (CID 79415813) is 5,8-dibromo-6-methoxy-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 5,8-dibromo-6-methoxy-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 5,8-dibromo-6-methoxy-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine is COc1cc(Br)c2c(c1Br)C(NC(C)C)CCO2.
What is the InChIKey of 5,8-dibromo-6-methoxy-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is XVTDDDPJCRZMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO2/c1-7(2)16-9-4-5-18-13-8(14)6-10(17-3)12(15)11(9)13/h6-7,9,16H,4-5H2,1-3H3.
What are the key properties of 5,8-dibromo-6-methoxy-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
5,8-dibromo-6-methoxy-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 379.09 g/mol, XLogP of 4.04, 3 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-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 79415813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).