[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone

C14H18BrNO3 — CID 102937854

IUPAC[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CC(C)OC(CBr)C2)c1
InChIInChI=1S/C14H18BrNO3/c1-10-8-16(9-13(7-15)19-10)14(17)11-4-3-5-12(6-11)18-2/h3-6,10,13H,7-9H2,1-2H3
InChIKeyPMXOBOXKPHVCOT-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.32
Rot. Bonds3

About [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone

[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone (PubChem CID 102937854) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone
PubChem CID102937854
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CC(C)OC(CBr)C2)c1
InChIInChI=1S/C14H18BrNO3/c1-10-8-16(9-13(7-15)19-10)14(17)11-4-3-5-12(6-11)18-2/h3-6,10,13H,7-9H2,1-2H3
InChIKeyPMXOBOXKPHVCOT-UHFFFAOYSA-N
XLogP2.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-chlorophenyl)methanone
CID 102937738
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 102937884
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone
CID 107729118
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dichlorophenyl)methanone
CID 102937906
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
[2-(aminomethyl)-6-methylmorpholin-4-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 102938275
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
CID 102937683
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,5-dihydroxyphenyl)methanone
CID 107706233
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxyphenyl)methanethione
CID 40963220
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3-propoxyphenyl)methanone
CID 102938425
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497
(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63874051

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone (CID 102937854) is [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CC(C)OC(CBr)C2)c1.
What is the InChIKey of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone?
The InChIKey is PMXOBOXKPHVCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-10-8-16(9-13(7-15)19-10)14(17)11-4-3-5-12(6-11)18-2/h3-6,10,13H,7-9H2,1-2H3.
What are the key properties of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone?
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone has a molecular weight of 328.21 g/mol, XLogP of 2.32, 3 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]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 102937854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).