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

C13H15BrClNO2 — CID 102937738

IUPAC[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-chlorophenyl)methanone
SMILESCC1CN(C(=O)c2cccc(Cl)c2)CC(CBr)O1
InChIInChI=1S/C13H15BrClNO2/c1-9-7-16(8-12(6-14)18-9)13(17)10-3-2-4-11(15)5-10/h2-5,9,12H,6-8H2,1H3
InChIKeyUSQXEHYUKMHFIT-UHFFFAOYSA-N
MW332.63 g/mol
LogP2.96
Rot. Bonds2

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

[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-chlorophenyl)methanone (PubChem CID 102937738) has the molecular formula C13H15BrClNO2 and a molecular weight of 332.63 g/mol. Its IUPAC name is [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-chlorophenyl)methanone
PubChem CID102937738
Molecular FormulaC13H15BrClNO2
Molecular Weight332.63 g/mol
Exact Mass331.00
IUPAC Name[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-chlorophenyl)methanone
SMILESCC1CN(C(=O)c2cccc(Cl)c2)CC(CBr)O1
InChIInChI=1S/C13H15BrClNO2/c1-9-7-16(8-12(6-14)18-9)13(17)10-3-2-4-11(15)5-10/h2-5,9,12H,6-8H2,1H3
InChIKeyUSQXEHYUKMHFIT-UHFFFAOYSA-N
XLogP2.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-chlorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dichlorophenyl)methanone
CID 102937906
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone
CID 102937854
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone
CID 107729118
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
CID 102937683
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,5-dihydroxyphenyl)methanone
CID 107706233
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 102937884
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-chloro-2-methoxyphenyl)methanone
CID 102937644
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2-chloro-4-methylphenyl)methanone
CID 106864094
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-iodophenyl)methanone
CID 102932983
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 102937779
(3-bromo-5-chlorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 107941509
(3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 63106751

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-chlorophenyl)methanone?
The IUPAC name of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-chlorophenyl)methanone (CID 102937738) is [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-chlorophenyl)methanone?
The canonical SMILES for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-chlorophenyl)methanone is CC1CN(C(=O)c2cccc(Cl)c2)CC(CBr)O1.
What is the InChIKey of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-chlorophenyl)methanone?
The InChIKey is USQXEHYUKMHFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO2/c1-9-7-16(8-12(6-14)18-9)13(17)10-3-2-4-11(15)5-10/h2-5,9,12H,6-8H2,1H3.
What are the key properties of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-chlorophenyl)methanone?
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-chlorophenyl)methanone has a molecular weight of 332.63 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 102937738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).