1-[(6-bromo-2H-chromen-3-yl)methylamino]propan-2-ol

C13H16BrNO2 — CID 110922595

IUPAC1-[(6-bromo-2H-chromen-3-yl)methylamino]propan-2-ol
SMILESCC(O)CNCC1=Cc2cc(Br)ccc2OC1
InChIInChI=1S/C13H16BrNO2/c1-9(16)6-15-7-10-4-11-5-12(14)2-3-13(11)17-8-10/h2-5,9,15-16H,6-8H2,1H3
InChIKeyQWHSHHQBIRHZAB-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.20
Rot. Bonds4

About 1-[(6-bromo-2H-chromen-3-yl)methylamino]propan-2-ol

1-[(6-bromo-2H-chromen-3-yl)methylamino]propan-2-ol (PubChem CID 110922595) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 1-[(6-bromo-2H-chromen-3-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(6-bromo-2H-chromen-3-yl)methylamino]propan-2-ol
PubChem CID110922595
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name1-[(6-bromo-2H-chromen-3-yl)methylamino]propan-2-ol
SMILESCC(O)CNCC1=Cc2cc(Br)ccc2OC1
InChIInChI=1S/C13H16BrNO2/c1-9(16)6-15-7-10-4-11-5-12(14)2-3-13(11)17-8-10/h2-5,9,15-16H,6-8H2,1H3
InChIKeyQWHSHHQBIRHZAB-UHFFFAOYSA-N
XLogP2.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromo-2H-chromen-3-yl)methylamino]propan-2-ol?
The IUPAC name of 1-[(6-bromo-2H-chromen-3-yl)methylamino]propan-2-ol (CID 110922595) is 1-[(6-bromo-2H-chromen-3-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(6-bromo-2H-chromen-3-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(6-bromo-2H-chromen-3-yl)methylamino]propan-2-ol is CC(O)CNCC1=Cc2cc(Br)ccc2OC1.
What is the InChIKey of 1-[(6-bromo-2H-chromen-3-yl)methylamino]propan-2-ol?
The InChIKey is QWHSHHQBIRHZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-9(16)6-15-7-10-4-11-5-12(14)2-3-13(11)17-8-10/h2-5,9,15-16H,6-8H2,1H3.
What are the key properties of 1-[(6-bromo-2H-chromen-3-yl)methylamino]propan-2-ol?
1-[(6-bromo-2H-chromen-3-yl)methylamino]propan-2-ol has a molecular weight of 298.18 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromo-2H-chromen-3-yl)methylamino]propan-2-ol is sourced from PubChem (CID 110922595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).