2-(4-chlorophenyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone

C14H18ClNO2 — CID 2904845

IUPAC2-(4-chlorophenyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)Cc2ccc(Cl)cc2)CC(C)O1
InChIInChI=1S/C14H18ClNO2/c1-10-8-16(9-11(2)18-10)14(17)7-12-3-5-13(15)6-4-12/h3-6,10-11H,7-9H2,1-2H3
InChIKeySIXFBUYTFMRSFZ-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.52
Rot. Bonds2

About 2-(4-chlorophenyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone

2-(4-chlorophenyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 2904845) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID2904845
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-(4-chlorophenyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)Cc2ccc(Cl)cc2)CC(C)O1
InChIInChI=1S/C14H18ClNO2/c1-10-8-16(9-11(2)18-10)14(17)7-12-3-5-13(15)6-4-12/h3-6,10-11H,7-9H2,1-2H3
InChIKeySIXFBUYTFMRSFZ-UHFFFAOYSA-N
XLogP2.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone (CID 2904845) is 2-(4-chlorophenyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone is CC1CN(C(=O)Cc2ccc(Cl)cc2)CC(C)O1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is SIXFBUYTFMRSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10-8-16(9-11(2)18-10)14(17)7-12-3-5-13(15)6-4-12/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
2-(4-chlorophenyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 267.76 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 2904845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).