1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one

C15H20BrNO2 — CID 79045436

IUPAC1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one
SMILESCC(C)(C(=O)Cc1cccc(Br)c1)N1CCOCC1
InChIInChI=1S/C15H20BrNO2/c1-15(2,17-6-8-19-9-7-17)14(18)11-12-4-3-5-13(16)10-12/h3-5,10H,6-9,11H2,1-2H3
InChIKeyRFMMPDNLZGRCIR-UHFFFAOYSA-N
MW326.23 g/mol
LogP2.67
Rot. Bonds4

About 1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one

1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one (PubChem CID 79045436) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one
PubChem CID79045436
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one
SMILESCC(C)(C(=O)Cc1cccc(Br)c1)N1CCOCC1
InChIInChI=1S/C15H20BrNO2/c1-15(2,17-6-8-19-9-7-17)14(18)11-12-4-3-5-13(16)10-12/h3-5,10H,6-9,11H2,1-2H3
InChIKeyRFMMPDNLZGRCIR-UHFFFAOYSA-N
XLogP2.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one
CID 79045725
3-(3-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 78771852
1-(3-bromothiophen-2-yl)-3-methyl-3-morpholin-4-ylbutan-2-one
CID 79045801
1-(3-bromophenyl)-3-ethyl-3-methoxypentan-2-one
CID 116747441
1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 79065554
2-(3-bromophenyl)-1-morpholin-4-ylethanone;1-morpholin-4-yl-2-[3-(2-trimethylsilylethynyl)phenyl]ethanone
CID 162234875
4-[(3-bromophenyl)methyl]morpholine;hydrochloride
CID 17249740
2-(3-bromophenyl)acetate
CID 3608673
bromo 2-(3-bromophenyl)acetate
CID 174910278
2-[(3-bromophenyl)methyl]-4-morpholin-4-ylbutanoic acid
CID 79417987
N-(2-amino-2-methylpropyl)-2-(3-bromophenyl)acetamide
CID 81483325
4-[[2-(3-bromophenyl)acetyl]amino]oxane-4-carboxylic acid
CID 115291429

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one?
The IUPAC name of 1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one (CID 79045436) is 1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one.
What is the SMILES notation for 1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one?
The canonical SMILES for 1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one is CC(C)(C(=O)Cc1cccc(Br)c1)N1CCOCC1.
What is the InChIKey of 1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one?
The InChIKey is RFMMPDNLZGRCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-15(2,17-6-8-19-9-7-17)14(18)11-12-4-3-5-13(16)10-12/h3-5,10H,6-9,11H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one?
1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one has a molecular weight of 326.23 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one is sourced from PubChem (CID 79045436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).