[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylphenyl)methanone

C15H20BrNO2 — CID 81212043

IUPAC[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCOC(CBr)C2)cc1
InChIInChI=1S/C15H20BrNO2/c1-11(2)12-3-5-13(6-4-12)15(18)17-7-8-19-14(9-16)10-17/h3-6,11,14H,7-10H2,1-2H3
InChIKeyZYGGYKJHPZAPOZ-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.05
Rot. Bonds3

About [2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylphenyl)methanone

[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylphenyl)methanone (PubChem CID 81212043) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is [2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylphenyl)methanone
PubChem CID81212043
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCOC(CBr)C2)cc1
InChIInChI=1S/C15H20BrNO2/c1-11(2)12-3-5-13(6-4-12)15(18)17-7-8-19-14(9-16)10-17/h3-6,11,14H,7-10H2,1-2H3
InChIKeyZYGGYKJHPZAPOZ-UHFFFAOYSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone
CID 81211077
[2-(bromomethyl)morpholin-4-yl]-[4-(dimethylamino)phenyl]methanone
CID 81211880
[2-(bromomethyl)morpholin-4-yl]-(3,5-dimethylphenyl)methanone
CID 81210603
[2-(bromomethyl)morpholin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 116629329
(2-phenylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 84510718
1,3-benzodioxol-5-yl-[2-(bromomethyl)morpholin-4-yl]methanone
CID 81211800
[2-(bromomethyl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 102922742
[2-(bromomethyl)morpholin-4-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 81210605
(3-bromo-5-chlorophenyl)-[2-(bromomethyl)morpholin-4-yl]methanone
CID 114018658
(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864535
3-(oxetan-2-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one
CID 138034031
[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-(4-propan-2-ylphenyl)methanone
CID 110364195

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylphenyl)methanone (CID 81212043) is [2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)N2CCOC(CBr)C2)cc1.
What is the InChIKey of [2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is ZYGGYKJHPZAPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-11(2)12-3-5-13(6-4-12)15(18)17-7-8-19-14(9-16)10-17/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of [2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylphenyl)methanone?
[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 326.23 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 81212043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).