1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone

C14H18BrNO2 — CID 43227090

IUPAC1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(CC(=O)c2cccc(Br)c2)CC(C)O1
InChIInChI=1S/C14H18BrNO2/c1-10-7-16(8-11(2)18-10)9-14(17)12-4-3-5-13(15)6-12/h3-6,10-11H,7-9H2,1-2H3
InChIKeyHAKWFTDWBCGLNS-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.74
Rot. Bonds3

About 1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone

1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 43227090) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID43227090
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(CC(=O)c2cccc(Br)c2)CC(C)O1
InChIInChI=1S/C14H18BrNO2/c1-10-7-16(8-11(2)18-10)9-14(17)12-4-3-5-13(15)6-12/h3-6,10-11H,7-9H2,1-2H3
InChIKeyHAKWFTDWBCGLNS-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanone
CID 43794567
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methoxyphenyl)ethanone
CID 93026009
2-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)ethanone
CID 4579108
1-(3-bromophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 55049854
2-(2,6-dimethylmorpholin-4-yl)-1-(4-phenylphenyl)ethanone
CID 82051054
1-(3-bromophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64597175
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-bromobenzoate
CID 23854351
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(4-ethoxyphenyl)ethanone
CID 93026036
1-(3-bromophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone
CID 61215953
(2S,6R)-4-[(3-bromophenyl)methyl]-2,6-dimethylmorpholine
CID 779466
1-(3-bromophenyl)-2-(1,4-diazepan-1-yl)ethanone
CID 62036990
1-(3-bromophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81204177

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone (CID 43227090) is 1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone is CC1CN(CC(=O)c2cccc(Br)c2)CC(C)O1.
What is the InChIKey of 1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is HAKWFTDWBCGLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-10-7-16(8-11(2)18-10)9-14(17)12-4-3-5-13(15)6-12/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone?
1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 312.21 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 43227090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).