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

C14H17BrClNO3 — CID 102937644

IUPAC[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-chloro-2-methoxyphenyl)methanone
SMILESCOc1cc(Cl)ccc1C(=O)N1CC(C)OC(CBr)C1
InChIInChI=1S/C14H17BrClNO3/c1-9-7-17(8-11(6-15)20-9)14(18)12-4-3-10(16)5-13(12)19-2/h3-5,9,11H,6-8H2,1-2H3
InChIKeyJSZJCFQFQYPMSZ-UHFFFAOYSA-N
MW362.65 g/mol
LogP2.97
Rot. Bonds3

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

[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-chloro-2-methoxyphenyl)methanone (PubChem CID 102937644) has the molecular formula C14H17BrClNO3 and a molecular weight of 362.65 g/mol. Its IUPAC name is [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-chloro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-chloro-2-methoxyphenyl)methanone
PubChem CID102937644
Molecular FormulaC14H17BrClNO3
Molecular Weight362.65 g/mol
Exact Mass361.01
IUPAC Name[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-chloro-2-methoxyphenyl)methanone
SMILESCOc1cc(Cl)ccc1C(=O)N1CC(C)OC(CBr)C1
InChIInChI=1S/C14H17BrClNO3/c1-9-7-17(8-11(6-15)20-9)14(18)12-4-3-10(16)5-13(12)19-2/h3-5,9,11H,6-8H2,1-2H3
InChIKeyJSZJCFQFQYPMSZ-UHFFFAOYSA-N
XLogP2.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.65
LogP ≤ 52.97
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]-(4-fluoro-3-methoxyphenyl)methanone
CID 102937884
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2-chloro-4-methylphenyl)methanone
CID 106864094
(4-chloro-2-methoxyphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671460
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-chlorophenyl)methanone
CID 102937738
(4-amino-2-methoxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102931441
(4-chloro-2-methylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102978663
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(5-bromo-2-methylphenyl)methanone
CID 102937933
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dichlorophenyl)methanone
CID 102937906
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2,5-dihydroxyphenyl)methanone
CID 107726249
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone
CID 102937854
(5-chloro-2-hydroxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102933143
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 114781526

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-chloro-2-methoxyphenyl)methanone?
The IUPAC name of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-chloro-2-methoxyphenyl)methanone (CID 102937644) is [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-chloro-2-methoxyphenyl)methanone.
What is the SMILES notation for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-chloro-2-methoxyphenyl)methanone?
The canonical SMILES for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-chloro-2-methoxyphenyl)methanone is COc1cc(Cl)ccc1C(=O)N1CC(C)OC(CBr)C1.
What is the InChIKey of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-chloro-2-methoxyphenyl)methanone?
The InChIKey is JSZJCFQFQYPMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO3/c1-9-7-17(8-11(6-15)20-9)14(18)12-4-3-10(16)5-13(12)19-2/h3-5,9,11H,6-8H2,1-2H3.
What are the key properties of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-chloro-2-methoxyphenyl)methanone?
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-chloro-2-methoxyphenyl)methanone has a molecular weight of 362.65 g/mol, XLogP of 2.97, 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]-(4-chloro-2-methoxyphenyl)methanone is sourced from PubChem (CID 102937644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).