1-[4-(2-bromoethoxy)phenyl]-2-methyl-2-morpholin-2-ylpropan-1-one

C16H22BrNO3 — CID 175227681

IUPAC1-[4-(2-bromoethoxy)phenyl]-2-methyl-2-morpholin-2-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc(OCCBr)cc1)C1CNCCO1
InChIInChI=1S/C16H22BrNO3/c1-16(2,14-11-18-8-10-21-14)15(19)12-3-5-13(6-4-12)20-9-7-17/h3-6,14,18H,7-11H2,1-2H3
InChIKeyZGLQCDYZYTWXCI-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.66
Rot. Bonds6

About 1-[4-(2-bromoethoxy)phenyl]-2-methyl-2-morpholin-2-ylpropan-1-one

1-[4-(2-bromoethoxy)phenyl]-2-methyl-2-morpholin-2-ylpropan-1-one (PubChem CID 175227681) has the molecular formula C16H22BrNO3 and a molecular weight of 356.26 g/mol. Its IUPAC name is 1-[4-(2-bromoethoxy)phenyl]-2-methyl-2-morpholin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-bromoethoxy)phenyl]-2-methyl-2-morpholin-2-ylpropan-1-one
PubChem CID175227681
Molecular FormulaC16H22BrNO3
Molecular Weight356.26 g/mol
Exact Mass355.08
IUPAC Name1-[4-(2-bromoethoxy)phenyl]-2-methyl-2-morpholin-2-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc(OCCBr)cc1)C1CNCCO1
InChIInChI=1S/C16H22BrNO3/c1-16(2,14-11-18-8-10-21-14)15(19)12-3-5-13(6-4-12)20-9-7-17/h3-6,14,18H,7-11H2,1-2H3
InChIKeyZGLQCDYZYTWXCI-UHFFFAOYSA-N
XLogP2.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

morpholin-2-yl-(4-propoxyphenyl)methanone
CID 116561682
(4-ethoxyphenyl)-morpholin-2-ylmethanone
CID 116561587
2-(dimethylamino)-2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(4-morpholin-2-ylphenyl)butan-1-one
CID 175078141
(3,4-diaminophenyl)-[4-(2-morpholin-2-ylbutan-2-yloxy)phenyl]methanone
CID 54190454
1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one
CID 143868791
ethyl 4-(morpholin-2-ylmethoxy)benzoate
CID 19983185
1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 58315606
N-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide
CID 119757535
4-ethoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 67239889
2-[2-(4-methylphenoxy)ethyl]morpholine
CID 54402236
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-morpholin-2-ylacetamide;hydrochloride
CID 119684310
N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide
CID 119714378

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bromoethoxy)phenyl]-2-methyl-2-morpholin-2-ylpropan-1-one?
The IUPAC name of 1-[4-(2-bromoethoxy)phenyl]-2-methyl-2-morpholin-2-ylpropan-1-one (CID 175227681) is 1-[4-(2-bromoethoxy)phenyl]-2-methyl-2-morpholin-2-ylpropan-1-one.
What is the SMILES notation for 1-[4-(2-bromoethoxy)phenyl]-2-methyl-2-morpholin-2-ylpropan-1-one?
The canonical SMILES for 1-[4-(2-bromoethoxy)phenyl]-2-methyl-2-morpholin-2-ylpropan-1-one is CC(C)(C(=O)c1ccc(OCCBr)cc1)C1CNCCO1.
What is the InChIKey of 1-[4-(2-bromoethoxy)phenyl]-2-methyl-2-morpholin-2-ylpropan-1-one?
The InChIKey is ZGLQCDYZYTWXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO3/c1-16(2,14-11-18-8-10-21-14)15(19)12-3-5-13(6-4-12)20-9-7-17/h3-6,14,18H,7-11H2,1-2H3.
What are the key properties of 1-[4-(2-bromoethoxy)phenyl]-2-methyl-2-morpholin-2-ylpropan-1-one?
1-[4-(2-bromoethoxy)phenyl]-2-methyl-2-morpholin-2-ylpropan-1-one has a molecular weight of 356.26 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromoethoxy)phenyl]-2-methyl-2-morpholin-2-ylpropan-1-one is sourced from PubChem (CID 175227681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).