1-[2-(3-bromophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone

C15H21BrN2O3 — CID 119757105

IUPAC1-[2-(3-bromophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C15H21BrN2O3/c1-20-7-5-17-10-15(19)18-6-8-21-14(11-18)12-3-2-4-13(16)9-12/h2-4,9,14,17H,5-8,10-11H2,1H3
InChIKeyVAXPTXNIAJCJIL-UHFFFAOYSA-N
MW357.25 g/mol
LogP1.59
Rot. Bonds6

About 1-[2-(3-bromophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone

1-[2-(3-bromophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone (PubChem CID 119757105) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is 1-[2-(3-bromophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone.

Molecular Properties

Compound Name1-[2-(3-bromophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
PubChem CID119757105
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Name1-[2-(3-bromophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C15H21BrN2O3/c1-20-7-5-17-10-15(19)18-6-8-21-14(11-18)12-3-2-4-13(16)9-12/h2-4,9,14,17H,5-8,10-11H2,1H3
InChIKeyVAXPTXNIAJCJIL-UHFFFAOYSA-N
XLogP1.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 119769922
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 79270314
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride
CID 120590693
2-(2-methoxyethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
CID 119757336
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 119777428
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119308203
3-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-phenylpropan-1-one
CID 119950790
2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
CID 110364441
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-bromophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119757086
(2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 99702196
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 86779755
2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119770425

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone?
The IUPAC name of 1-[2-(3-bromophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone (CID 119757105) is 1-[2-(3-bromophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone.
What is the SMILES notation for 1-[2-(3-bromophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone?
The canonical SMILES for 1-[2-(3-bromophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone is COCCNCC(=O)N1CCOC(c2cccc(Br)c2)C1.
What is the InChIKey of 1-[2-(3-bromophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone?
The InChIKey is VAXPTXNIAJCJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-20-7-5-17-10-15(19)18-6-8-21-14(11-18)12-3-2-4-13(16)9-12/h2-4,9,14,17H,5-8,10-11H2,1H3.
What are the key properties of 1-[2-(3-bromophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone?
1-[2-(3-bromophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone has a molecular weight of 357.25 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone is sourced from PubChem (CID 119757105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).