[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2-chloro-3-methylphenyl)methanone

C15H19BrClNO2 — CID 114781714

IUPAC[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2-chloro-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CC(CBr)OC(C)(C)C2)c1Cl
InChIInChI=1S/C15H19BrClNO2/c1-10-5-4-6-12(13(10)17)14(19)18-8-11(7-16)20-15(2,3)9-18/h4-6,11H,7-9H2,1-3H3
InChIKeyYEPOCKKVNZMFBN-UHFFFAOYSA-N
MW360.68 g/mol
LogP3.66
Rot. Bonds2

About [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2-chloro-3-methylphenyl)methanone

[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2-chloro-3-methylphenyl)methanone (PubChem CID 114781714) has the molecular formula C15H19BrClNO2 and a molecular weight of 360.68 g/mol. Its IUPAC name is [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2-chloro-3-methylphenyl)methanone.

Molecular Properties

Compound Name[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2-chloro-3-methylphenyl)methanone
PubChem CID114781714
Molecular FormulaC15H19BrClNO2
Molecular Weight360.68 g/mol
Exact Mass359.03
IUPAC Name[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2-chloro-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CC(CBr)OC(C)(C)C2)c1Cl
InChIInChI=1S/C15H19BrClNO2/c1-10-5-4-6-12(13(10)17)14(19)18-8-11(7-16)20-15(2,3)9-18/h4-6,11H,7-9H2,1-3H3
InChIKeyYEPOCKKVNZMFBN-UHFFFAOYSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2-chloro-3-methylphenyl)methanone?
The IUPAC name of [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2-chloro-3-methylphenyl)methanone (CID 114781714) is [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2-chloro-3-methylphenyl)methanone.
What is the SMILES notation for [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2-chloro-3-methylphenyl)methanone?
The canonical SMILES for [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2-chloro-3-methylphenyl)methanone is Cc1cccc(C(=O)N2CC(CBr)OC(C)(C)C2)c1Cl.
What is the InChIKey of [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2-chloro-3-methylphenyl)methanone?
The InChIKey is YEPOCKKVNZMFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClNO2/c1-10-5-4-6-12(13(10)17)14(19)18-8-11(7-16)20-15(2,3)9-18/h4-6,11H,7-9H2,1-3H3.
What are the key properties of [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2-chloro-3-methylphenyl)methanone?
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2-chloro-3-methylphenyl)methanone has a molecular weight of 360.68 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2-chloro-3-methylphenyl)methanone is sourced from PubChem (CID 114781714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).