1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone

C14H18BrNO2 — CID 81210723

IUPAC1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCOC(CBr)C2)cc1
InChIInChI=1S/C14H18BrNO2/c1-11-2-4-12(5-3-11)8-14(17)16-6-7-18-13(9-15)10-16/h2-5,13H,6-10H2,1H3
InChIKeyOGJOUIZGQYCHNE-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.16
Rot. Bonds3

About 1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone

1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone (PubChem CID 81210723) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
PubChem CID81210723
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCOC(CBr)C2)cc1
InChIInChI=1S/C14H18BrNO2/c1-11-2-4-12(5-3-11)8-14(17)16-6-7-18-13(9-15)10-16/h2-5,13H,6-10H2,1H3
InChIKeyOGJOUIZGQYCHNE-UHFFFAOYSA-N
XLogP2.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.16
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

methyl 2-[4-[2-(4-methylphenyl)acetyl]morpholin-2-yl]acetate
CID 79813124
2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone
CID 43562198
2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 119248876
2-(4-chlorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81208288
[2-(bromomethyl)morpholin-4-yl]-(3,5-dimethylphenyl)methanone
CID 81210603
2-[4-[2-(4-methoxyphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66434960
1-[2-(chloromethyl)morpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone
CID 81210812
2-[4-[(R)-methylsulfinyl]phenyl]-1-[(2R)-2-propylmorpholin-4-yl]ethanone
CID 100654379
1-[2-(bromomethyl)morpholin-4-yl]-2,2-dimethylpropan-1-one
CID 81211878
1-[2-(aminomethyl)morpholin-4-yl]-2-pyridin-4-ylethanone
CID 56755872
1-[2-(hydroxymethyl)morpholin-4-yl]-2-(4-methylphenyl)sulfanylethanone
CID 81209125
2-[4-[2-(4-propan-2-ylsulfonylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 120527813

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone (CID 81210723) is 1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)N2CCOC(CBr)C2)cc1.
What is the InChIKey of 1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is OGJOUIZGQYCHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-11-2-4-12(5-3-11)8-14(17)16-6-7-18-13(9-15)10-16/h2-5,13H,6-10H2,1H3.
What are the key properties of 1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone?
1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 312.21 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 81210723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).