1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone

C15H20BrNO2 — CID 114781637

IUPAC1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone
SMILESCC1(C)CN(C(=O)Cc2ccccc2)CC(CBr)O1
InChIInChI=1S/C15H20BrNO2/c1-15(2)11-17(10-13(9-16)19-15)14(18)8-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKeyUASSLQUGPKTISI-UHFFFAOYSA-N
MW326.23 g/mol
LogP2.63
Rot. Bonds3

About 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone

1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone (PubChem CID 114781637) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone
PubChem CID114781637
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone
SMILESCC1(C)CN(C(=O)Cc2ccccc2)CC(CBr)O1
InChIInChI=1S/C15H20BrNO2/c1-15(2)11-17(10-13(9-16)19-15)14(18)8-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKeyUASSLQUGPKTISI-UHFFFAOYSA-N
XLogP2.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-(3-methoxyphenyl)ethanone
CID 114781425
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-fluorophenyl)ethanone
CID 114781549
2-(3-bromophenyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 114778963
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-cyclopropylethanone
CID 114781655
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-(3-chlorophenyl)ethanone
CID 114781279
(6R)-4-benzyl-6-(bromomethyl)-2,2-dimethylmorpholine
CID 154725513
(5-bromofuran-2-yl)-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114781615
4-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethyl]benzonitrile
CID 114776845
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-thiophen-2-ylmethanone
CID 114781574
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-pyridin-3-ylethanone
CID 129485565
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]nonan-1-one
CID 114781544
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(3,4-dimethylphenyl)methanone
CID 114781527

Frequently Asked Questions

What is the IUPAC name of 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone?
The IUPAC name of 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone (CID 114781637) is 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone.
What is the SMILES notation for 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone?
The canonical SMILES for 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone is CC1(C)CN(C(=O)Cc2ccccc2)CC(CBr)O1.
What is the InChIKey of 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone?
The InChIKey is UASSLQUGPKTISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-15(2)11-17(10-13(9-16)19-15)14(18)8-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3.
What are the key properties of 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone?
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone has a molecular weight of 326.23 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone is sourced from PubChem (CID 114781637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).