[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-fluoro-3-methoxyphenyl)methanone

C14H17BrFNO3 — CID 102937884

IUPAC[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CC(C)OC(CBr)C2)ccc1F
InChIInChI=1S/C14H17BrFNO3/c1-9-7-17(8-11(6-15)20-9)14(18)10-3-4-12(16)13(5-10)19-2/h3-5,9,11H,6-8H2,1-2H3
InChIKeyAAYUEXURDLPEAM-UHFFFAOYSA-N
MW346.20 g/mol
LogP2.46
Rot. Bonds3

About [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-fluoro-3-methoxyphenyl)methanone

[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-fluoro-3-methoxyphenyl)methanone (PubChem CID 102937884) has the molecular formula C14H17BrFNO3 and a molecular weight of 346.20 g/mol. Its IUPAC name is [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-fluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-fluoro-3-methoxyphenyl)methanone
PubChem CID102937884
Molecular FormulaC14H17BrFNO3
Molecular Weight346.20 g/mol
Exact Mass345.04
IUPAC Name[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CC(C)OC(CBr)C2)ccc1F
InChIInChI=1S/C14H17BrFNO3/c1-9-7-17(8-11(6-15)20-9)14(18)10-3-4-12(16)13(5-10)19-2/h3-5,9,11H,6-8H2,1-2H3
InChIKeyAAYUEXURDLPEAM-UHFFFAOYSA-N
XLogP2.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-fluoro-3-methoxyphenyl)methanone 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

[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-chloro-2-methoxyphenyl)methanone
CID 102937644
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone
CID 102937854
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone
CID 107729118
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dimethoxyphenyl)methanone
CID 102938320
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dichlorophenyl)methanone
CID 102937906
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
CID 102937683
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-chlorophenyl)methanone
CID 102937738
(4-bromo-2,6-difluorophenyl)-[2-(bromomethyl)-6-methylmorpholin-4-yl]methanone
CID 102937775
1-(4-fluoro-3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 81283944
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,5-dihydroxyphenyl)methanone
CID 107706233
[(2S,3aS,7aS)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 97369376
[(2R,3aR,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 133143377

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-fluoro-3-methoxyphenyl)methanone?
The IUPAC name of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-fluoro-3-methoxyphenyl)methanone (CID 102937884) is [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-fluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-fluoro-3-methoxyphenyl)methanone?
The canonical SMILES for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-fluoro-3-methoxyphenyl)methanone is COc1cc(C(=O)N2CC(C)OC(CBr)C2)ccc1F.
What is the InChIKey of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-fluoro-3-methoxyphenyl)methanone?
The InChIKey is AAYUEXURDLPEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO3/c1-9-7-17(8-11(6-15)20-9)14(18)10-3-4-12(16)13(5-10)19-2/h3-5,9,11H,6-8H2,1-2H3.
What are the key properties of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-fluoro-3-methoxyphenyl)methanone?
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-fluoro-3-methoxyphenyl)methanone has a molecular weight of 346.20 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-fluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 102937884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).