2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride

C14H19BrClNO3 — CID 87674715

IUPAC2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride
SMILESCl.O=C(CBr)c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C14H18BrNO3.ClH/c15-11-14(17)12-1-3-13(4-2-12)19-10-7-16-5-8-18-9-6-16;/h1-4H,5-11H2;1H
InChIKeyGBRVRDMUCHFTKH-UHFFFAOYSA-N
MW364.67 g/mol
LogP2.40
Rot. Bonds6

About 2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride

2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride (PubChem CID 87674715) has the molecular formula C14H19BrClNO3 and a molecular weight of 364.67 g/mol. Its IUPAC name is 2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride
PubChem CID87674715
Molecular FormulaC14H19BrClNO3
Molecular Weight364.67 g/mol
Exact Mass363.02
IUPAC Name2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride
SMILESCl.O=C(CBr)c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C14H18BrNO3.ClH/c15-11-14(17)12-1-3-13(4-2-12)19-10-7-16-5-8-18-9-6-16;/h1-4H,5-11H2;1H
InChIKeyGBRVRDMUCHFTKH-UHFFFAOYSA-N
XLogP2.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.67
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one
CID 66821978
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride
CID 23117912
4-[2-(4-buta-1,3-dien-2-ylphenoxy)ethyl]morpholine
CID 123489921
N-[5-(2-bromoacetyl)-2-pyridinyl]-4-(3-morpholin-4-ylpropoxy)benzenesulfonamide
CID 131738515
[4-(2-morpholin-4-ylethoxy)phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 70473463
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
3-morpholin-4-yl-1-(4-propan-2-yloxyphenyl)propan-1-one;hydrochloride
CID 52997518
1,7-bis[4-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 123906714
(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid
CID 18363070

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride?
The IUPAC name of 2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride (CID 87674715) is 2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride.
What is the SMILES notation for 2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride?
The canonical SMILES for 2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride is Cl.O=C(CBr)c1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of 2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride?
The InChIKey is GBRVRDMUCHFTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3.ClH/c15-11-14(17)12-1-3-13(4-2-12)19-10-7-16-5-8-18-9-6-16;/h1-4H,5-11H2;1H.
What are the key properties of 2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride?
2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride has a molecular weight of 364.67 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride is sourced from PubChem (CID 87674715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).