1-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanone

C13H16BrNO2 — CID 43794567

IUPAC1-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(CC(=O)c2cccc(Br)c2)CCO1
InChIInChI=1S/C13H16BrNO2/c1-10-8-15(5-6-17-10)9-13(16)11-3-2-4-12(14)7-11/h2-4,7,10H,5-6,8-9H2,1H3
InChIKeyZEHYJQRJWALCHY-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.35
Rot. Bonds3

About 1-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanone

1-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanone (PubChem CID 43794567) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanone
PubChem CID43794567
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name1-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(CC(=O)c2cccc(Br)c2)CCO1
InChIInChI=1S/C13H16BrNO2/c1-10-8-15(5-6-17-10)9-13(16)11-3-2-4-12(14)7-11/h2-4,7,10H,5-6,8-9H2,1H3
InChIKeyZEHYJQRJWALCHY-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-2-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 92858348
1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 43227090
1-(3-bromophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64597175
1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone
CID 43796611
1-(3-bromophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170629
1-(3-bromophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 55049854
1-(3-bromophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone
CID 61215953
1-(2,6-difluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 55153158
1-(2,5-difluorophenyl)-2-(2-methylmorpholin-4-yl)ethanone
CID 43794572
1-(3-bromophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81204177
1-(3-bromophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 54886122
1-(3-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 83219776

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanone (CID 43794567) is 1-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanone is CC1CN(CC(=O)c2cccc(Br)c2)CCO1.
What is the InChIKey of 1-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is ZEHYJQRJWALCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-10-8-15(5-6-17-10)9-13(16)11-3-2-4-12(14)7-11/h2-4,7,10H,5-6,8-9H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanone?
1-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 298.18 g/mol, XLogP of 2.35, 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-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 43794567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).