[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone

C15H18BrNO3 — CID 102937972

IUPAC[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone
SMILESCC1CN(C(=O)C2Cc3ccccc3O2)CC(CBr)O1
InChIInChI=1S/C15H18BrNO3/c1-10-8-17(9-12(7-16)19-10)15(18)14-6-11-4-2-3-5-13(11)20-14/h2-5,10,12,14H,6-9H2,1H3
InChIKeyCGESDZQFGGIHNN-UHFFFAOYSA-N
MW340.22 g/mol
LogP2.00
Rot. Bonds2

About [2-(bromomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone

[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone (PubChem CID 102937972) has the molecular formula C15H18BrNO3 and a molecular weight of 340.22 g/mol. Its IUPAC name is [2-(bromomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone
PubChem CID102937972
Molecular FormulaC15H18BrNO3
Molecular Weight340.22 g/mol
Exact Mass339.05
IUPAC Name[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone
SMILESCC1CN(C(=O)C2Cc3ccccc3O2)CC(CBr)O1
InChIInChI=1S/C15H18BrNO3/c1-10-8-17(9-12(7-16)19-10)15(18)14-6-11-4-2-3-5-13(11)20-14/h2-5,10,12,14H,6-9H2,1H3
InChIKeyCGESDZQFGGIHNN-UHFFFAOYSA-N
XLogP2.00
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone?
The IUPAC name of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone (CID 102937972) is [2-(bromomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone?
The canonical SMILES for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone is CC1CN(C(=O)C2Cc3ccccc3O2)CC(CBr)O1.
What is the InChIKey of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone?
The InChIKey is CGESDZQFGGIHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO3/c1-10-8-17(9-12(7-16)19-10)15(18)14-6-11-4-2-3-5-13(11)20-14/h2-5,10,12,14H,6-9H2,1H3.
What are the key properties of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone?
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone has a molecular weight of 340.22 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 102937972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).