chempirical

4-[(4-Fluorophenyl)methyl]-3-morpholinemethanamine

C12H17FN2OCAS 174561-70-7224.28 g/mol

Open in Covalent MOL file
H2NONF
Aryl halideEtherPrimary amineTertiary amine

Properties

Molecular formula
C12H17FN2O
Molar mass
224.28 g/mol
Exact mass
224.1325 Da
logP
0.99Crippen estimate
Polar surface area
38.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
174561-70-7
SMILES
NCC1COCCN1Cc1ccc(F)cc1
InChIKey
VVWOFFGNIYRUJK-UHFFFAOYSA-N
InChI
InChI=1S/C12H17FN2O/c13-11-3-1-10(2-4-11)8-15-5-6-16-9-12(15)7-14/h1-4,12H,5-9,14H2

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Names and synonyms

3 names
  • 3-Morpholinemethanamine, 4-[(4-fluorophenyl)methyl]-
  • [4-[(4-Fluorophenyl)methyl]morpholin-3-yl]methanamine
  • (4-(4-Fluorobenzyl)morpholin-3-yl)methanamine

Work with 4-[(4-Fluorophenyl)methyl]-3-morpholinemethanamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Fluorobenzylamine140-75-036 % similar 1-[(4-Fluorophenyl)methyl]hexahydro-1H-1,4-diazepine76141-89-433 % similar 1-[Bis(4-fluorophenyl)methyl]piperazine27469-60-933 % similar 2-Acetylamidomethyl-4-(4-fluorobenzyl)morpholine112913-94-732 % similar 1,1′-Methylenebis[4-fluorobenzene]457-68-132 % similar (4-Benzyl-1,4-oxazinan-2-yl)methylamine110859-47-731 % similar 2-(4-Fluorophenyl)oxirane18511-62-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Aminomethyl-4-(4-fluorobenzyl)morpholine112914-13-3

Elsewhere

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