1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-(3-chlorophenyl)ethanone

C15H19Cl2NO2 — CID 114781279

IUPAC1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-(3-chlorophenyl)ethanone
SMILESCC1(C)CN(C(=O)Cc2cccc(Cl)c2)CC(CCl)O1
InChIInChI=1S/C15H19Cl2NO2/c1-15(2)10-18(9-13(8-16)20-15)14(19)7-11-4-3-5-12(17)6-11/h3-6,13H,7-10H2,1-2H3
InChIKeyNFXMDBMIJCLILG-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.13
Rot. Bonds3

About 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-(3-chlorophenyl)ethanone

1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-(3-chlorophenyl)ethanone (PubChem CID 114781279) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-(3-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-(3-chlorophenyl)ethanone
PubChem CID114781279
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-(3-chlorophenyl)ethanone
SMILESCC1(C)CN(C(=O)Cc2cccc(Cl)c2)CC(CCl)O1
InChIInChI=1S/C15H19Cl2NO2/c1-15(2)10-18(9-13(8-16)20-15)14(19)7-11-4-3-5-12(17)6-11/h3-6,13H,7-10H2,1-2H3
InChIKeyNFXMDBMIJCLILG-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.13
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

2-(3-bromophenyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 114778963
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone
CID 114781637
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-(3-methoxyphenyl)ethanone
CID 114781425
(5-chloro-2-fluorophenyl)-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114781270
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-(4-chlorophenoxy)ethanone
CID 114781317
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
CID 114781310
6-(chloromethyl)-4-(3-chlorophenyl)sulfonyl-2,2-dimethylmorpholine
CID 114781786
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781210
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,3-dihydroxyphenyl)methanone
CID 114781203
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(4-chloro-3-methylphenyl)methanone
CID 114781262
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-chloro-4-methylphenyl)methanone
CID 114781128
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,3,4-trifluorophenyl)methanone
CID 114781299

Frequently Asked Questions

What is the IUPAC name of 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-(3-chlorophenyl)ethanone?
The IUPAC name of 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-(3-chlorophenyl)ethanone (CID 114781279) is 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-(3-chlorophenyl)ethanone.
What is the SMILES notation for 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-(3-chlorophenyl)ethanone?
The canonical SMILES for 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-(3-chlorophenyl)ethanone is CC1(C)CN(C(=O)Cc2cccc(Cl)c2)CC(CCl)O1.
What is the InChIKey of 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-(3-chlorophenyl)ethanone?
The InChIKey is NFXMDBMIJCLILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-15(2)10-18(9-13(8-16)20-15)14(19)7-11-4-3-5-12(17)6-11/h3-6,13H,7-10H2,1-2H3.
What are the key properties of 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-(3-chlorophenyl)ethanone?
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-(3-chlorophenyl)ethanone has a molecular weight of 316.23 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-(3-chlorophenyl)ethanone is sourced from PubChem (CID 114781279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).