1-(4-bromophenyl)-4-(3-ethylmorpholin-4-yl)butan-1-one

C16H22BrNO2 — CID 43793216

IUPAC1-(4-bromophenyl)-4-(3-ethylmorpholin-4-yl)butan-1-one
SMILESCCC1COCCN1CCCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H22BrNO2/c1-2-15-12-20-11-10-18(15)9-3-4-16(19)13-5-7-14(17)8-6-13/h5-8,15H,2-4,9-12H2,1H3
InChIKeyKERDGYVJXZRVIS-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.52
Rot. Bonds6

About 1-(4-bromophenyl)-4-(3-ethylmorpholin-4-yl)butan-1-one

1-(4-bromophenyl)-4-(3-ethylmorpholin-4-yl)butan-1-one (PubChem CID 43793216) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-(3-ethylmorpholin-4-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-(3-ethylmorpholin-4-yl)butan-1-one
PubChem CID43793216
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name1-(4-bromophenyl)-4-(3-ethylmorpholin-4-yl)butan-1-one
SMILESCCC1COCCN1CCCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H22BrNO2/c1-2-15-12-20-11-10-18(15)9-3-4-16(19)13-5-7-14(17)8-6-13/h5-8,15H,2-4,9-12H2,1H3
InChIKeyKERDGYVJXZRVIS-UHFFFAOYSA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-4-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 54885784
6-(3-ethylmorpholin-4-yl)hexan-3-one
CID 106801201
2-(3-ethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone
CID 43797584
4-(9-bromononyl)-3-ethylmorpholine
CID 105343626
2-(3-ethylmorpholin-4-yl)-1-(4-iodophenyl)ethanone
CID 43797578
1-(4-bromophenyl)-4-(2-ethyl-5-methylpyrrolidin-1-yl)butan-1-one
CID 83220400
2-(3-ethylmorpholin-4-yl)-1-(4-methoxyphenyl)ethanone
CID 43797594
4-(3-bromopropyl)-3-ethylmorpholine
CID 61288372
1-(5-bromothiophen-2-yl)-2-(3-ethylmorpholin-4-yl)ethanone
CID 43797577
4-(3-chloropropyl)-3-ethylmorpholine
CID 61288570
1-(4-bromophenyl)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-one
CID 114594159
4-(4-acetylpiperazin-1-yl)-1-(4-bromophenyl)butan-1-one
CID 43229459

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-(3-ethylmorpholin-4-yl)butan-1-one?
The IUPAC name of 1-(4-bromophenyl)-4-(3-ethylmorpholin-4-yl)butan-1-one (CID 43793216) is 1-(4-bromophenyl)-4-(3-ethylmorpholin-4-yl)butan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-4-(3-ethylmorpholin-4-yl)butan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-4-(3-ethylmorpholin-4-yl)butan-1-one is CCC1COCCN1CCCC(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-4-(3-ethylmorpholin-4-yl)butan-1-one?
The InChIKey is KERDGYVJXZRVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-2-15-12-20-11-10-18(15)9-3-4-16(19)13-5-7-14(17)8-6-13/h5-8,15H,2-4,9-12H2,1H3.
What are the key properties of 1-(4-bromophenyl)-4-(3-ethylmorpholin-4-yl)butan-1-one?
1-(4-bromophenyl)-4-(3-ethylmorpholin-4-yl)butan-1-one has a molecular weight of 340.26 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-(3-ethylmorpholin-4-yl)butan-1-one is sourced from PubChem (CID 43793216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).