3-[(4-bromo-2-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one

C14H18BrFN2O2 — CID 115585099

IUPAC3-[(4-bromo-2-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCNCc1ccc(Br)cc1F)N1CCOCC1
InChIInChI=1S/C14H18BrFN2O2/c15-12-2-1-11(13(16)9-12)10-17-4-3-14(19)18-5-7-20-8-6-18/h1-2,9,17H,3-8,10H2
InChIKeyRTMUKKSEQUCJJL-UHFFFAOYSA-N
MW345.21 g/mol
LogP1.93
Rot. Bonds5

About 3-[(4-bromo-2-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one

3-[(4-bromo-2-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 115585099) has the molecular formula C14H18BrFN2O2 and a molecular weight of 345.21 g/mol. Its IUPAC name is 3-[(4-bromo-2-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(4-bromo-2-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID115585099
Molecular FormulaC14H18BrFN2O2
Molecular Weight345.21 g/mol
Exact Mass344.05
IUPAC Name3-[(4-bromo-2-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCNCc1ccc(Br)cc1F)N1CCOCC1
InChIInChI=1S/C14H18BrFN2O2/c15-12-2-1-11(13(16)9-12)10-17-4-3-14(19)18-5-7-20-8-6-18/h1-2,9,17H,3-8,10H2
InChIKeyRTMUKKSEQUCJJL-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,3-difluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115618229
3-[(5-bromo-2-pyridinyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115626598
3-[(2-hydroxy-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115603112
3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 104923813
3-[(5-chloro-2-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115585143
3-[(4-hydroxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 112685039
3-[(4-bromo-5-methylthiophen-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 102837365
3-[(3-chloro-4-methylphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 106817088
3-(1-benzofuran-3-ylmethylamino)-1-morpholin-4-ylpropan-1-one
CID 115750353
N-[(4-bromo-2-fluorophenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 115619711
1-[4-[(4-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224288
3-[(5-bromo-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 112692551

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(4-bromo-2-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one (CID 115585099) is 3-[(4-bromo-2-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(4-bromo-2-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(4-bromo-2-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one is O=C(CCNCc1ccc(Br)cc1F)N1CCOCC1.
What is the InChIKey of 3-[(4-bromo-2-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is RTMUKKSEQUCJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O2/c15-12-2-1-11(13(16)9-12)10-17-4-3-14(19)18-5-7-20-8-6-18/h1-2,9,17H,3-8,10H2.
What are the key properties of 3-[(4-bromo-2-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one?
3-[(4-bromo-2-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 345.21 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 115585099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).